4-chloro-5-(6-chloro-4-methyl-3-pyridinyl)-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide

C20H26Cl2N4O2 — CID 153296608

IUPAC4-chloro-5-(6-chloro-4-methyl-3-pyridinyl)-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(Cl)cc1C
InChIInChI=1S/C20H26Cl2N4O2/c1-4-26-18(14-10-23-15(21)9-13(14)3)16(22)17(25-26)19(27)24-11-20(28)7-5-12(2)6-8-20/h9-10,12,28H,4-8,11H2,1-3H3,(H,24,27)
InChIKeyRMUQGBSBLCUSHH-UHFFFAOYSA-N
MW425.36 g/mol
LogP4.25
Rot. Bonds5

About 4-chloro-5-(6-chloro-4-methyl-3-pyridinyl)-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide

4-chloro-5-(6-chloro-4-methyl-3-pyridinyl)-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (PubChem CID 153296608) has the molecular formula C20H26Cl2N4O2 and a molecular weight of 425.36 g/mol. Its IUPAC name is 4-chloro-5-(6-chloro-4-methyl-3-pyridinyl)-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-(6-chloro-4-methyl-3-pyridinyl)-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
PubChem CID153296608
Molecular FormulaC20H26Cl2N4O2
Molecular Weight425.36 g/mol
Exact Mass424.14
IUPAC Name4-chloro-5-(6-chloro-4-methyl-3-pyridinyl)-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(Cl)cc1C
InChIInChI=1S/C20H26Cl2N4O2/c1-4-26-18(14-10-23-15(21)9-13(14)3)16(22)17(25-26)19(27)24-11-20(28)7-5-12(2)6-8-20/h9-10,12,28H,4-8,11H2,1-3H3,(H,24,27)
InChIKeyRMUQGBSBLCUSHH-UHFFFAOYSA-N
XLogP4.25
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5-(6-chloro-4-ethyl-3-pyridinyl)-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide
CID 160682662
4-chloro-1-ethyl-5-[4-ethyl-6-[(4,4,4-trifluoro-2-methylbutan-2-yl)amino]-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 153296565
4-chloro-5-[6-(1-cyclopropylpropylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 158169624
4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 153296611
4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 146286358
4-chloro-5-[2,6-difluoro-4-[(2R)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 153296264
4-chloro-5-[6-[(1-cyclopropyl-3,3,3-trifluoropropyl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 153296672
4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropanoyl)phenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 153296102
4-chloro-5-[6-[[(1S)-1-cyclopropyl-3,3,3-trifluoropropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide
CID 158451096
5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide
CID 153296764
2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 65118691
4-chloro-5-[4-(difluoromethoxy)-6-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 146286375

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(6-chloro-4-methyl-3-pyridinyl)-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-5-(6-chloro-4-methyl-3-pyridinyl)-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (CID 153296608) is 4-chloro-5-(6-chloro-4-methyl-3-pyridinyl)-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-5-(6-chloro-4-methyl-3-pyridinyl)-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-5-(6-chloro-4-methyl-3-pyridinyl)-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(Cl)cc1C.
What is the InChIKey of 4-chloro-5-(6-chloro-4-methyl-3-pyridinyl)-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The InChIKey is RMUQGBSBLCUSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N4O2/c1-4-26-18(14-10-23-15(21)9-13(14)3)16(22)17(25-26)19(27)24-11-20(28)7-5-12(2)6-8-20/h9-10,12,28H,4-8,11H2,1-3H3,(H,24,27).
What are the key properties of 4-chloro-5-(6-chloro-4-methyl-3-pyridinyl)-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
4-chloro-5-(6-chloro-4-methyl-3-pyridinyl)-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide has a molecular weight of 425.36 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(6-chloro-4-methyl-3-pyridinyl)-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 153296608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).