5-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide

C15H24ClN3O2 — CID 111485841

IUPAC5-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1nn(C)c(Cl)c1C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C15H24ClN3O2/c1-10(2)12-11(13(16)19(3)18-12)14(20)17-9-15(21)7-5-4-6-8-15/h10,21H,4-9H2,1-3H3,(H,17,20)
InChIKeySUHUTJZKNRLSQY-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.62
Rot. Bonds4

About 5-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide

5-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide (PubChem CID 111485841) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 5-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide
PubChem CID111485841
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name5-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1nn(C)c(Cl)c1C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C15H24ClN3O2/c1-10(2)12-11(13(16)19(3)18-12)14(20)17-9-15(21)7-5-4-6-8-15/h10,21H,4-9H2,1-3H3,(H,17,20)
InChIKeySUHUTJZKNRLSQY-UHFFFAOYSA-N
XLogP2.62
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 111560347
N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 66126067
4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66123246
1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol
CID 111425320
N-[(1-hydroxycyclopentyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 113236280
3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 77021928
2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113651
3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-carboxamide
CID 66121924
N-[(1-hydroxycyclohexyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111485768
N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[(1-hydroxycyclobutyl)methyl]prop-2-enamide
CID 115643482
1-[(1-hydroxycyclohexyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 110936584

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide (CID 111485841) is 5-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide is CC(C)c1nn(C)c(Cl)c1C(=O)NCC1(O)CCCCC1.
What is the InChIKey of 5-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is SUHUTJZKNRLSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2/c1-10(2)12-11(13(16)19(3)18-12)14(20)17-9-15(21)7-5-4-6-8-15/h10,21H,4-9H2,1-3H3,(H,17,20).
What are the key properties of 5-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide?
5-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 313.83 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 111485841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).