N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide

C19H25N5O2 — CID 126934979

IUPACN-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(n3nc(C4CC4)ccc3=O)CC2)n(C)n1
InChIInChI=1S/C19H25N5O2/c1-12-11-17(23(2)21-12)19(26)20-14-5-7-15(8-6-14)24-18(25)10-9-16(22-24)13-3-4-13/h9-11,13-15H,3-8H2,1-2H3,(H,20,26)
InChIKeyKMIHLSVEXXFUNR-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.08
Rot. Bonds4

About N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide

N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 126934979) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID126934979
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(n3nc(C4CC4)ccc3=O)CC2)n(C)n1
InChIInChI=1S/C19H25N5O2/c1-12-11-17(23(2)21-12)19(26)20-14-5-7-15(8-6-14)24-18(25)10-9-16(22-24)13-3-4-13/h9-11,13-15H,3-8H2,1-2H3,(H,20,26)
InChIKeyKMIHLSVEXXFUNR-UHFFFAOYSA-N
XLogP2.08
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,5-dimethyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
CID 126934624
N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61057507
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-6-carboxamide
CID 126934963
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-6-(dimethylamino)pyridazine-3-carboxamide
CID 126934997
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide
CID 126934957
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrimidine-2-carboxamide
CID 126934619
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137193676
6-cyclopropyl-2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]pyridazin-3-one
CID 126935074
2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide
CID 66126685
N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide
CID 126936914
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 126934947
2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
CID 126936292

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide (CID 126934979) is N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCC(n3nc(C4CC4)ccc3=O)CC2)n(C)n1.
What is the InChIKey of N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is KMIHLSVEXXFUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-12-11-17(23(2)21-12)19(26)20-14-5-7-15(8-6-14)24-18(25)10-9-16(22-24)13-3-4-13/h9-11,13-15H,3-8H2,1-2H3,(H,20,26).
What are the key properties of N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 126934979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).