N-[(4,4-dimethylcyclohexyl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide

C18H29N3O2 — CID 129341540

IUPACN-[(4,4-dimethylcyclohexyl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2CCC(C)(C)CC2)c([C@@H]2CCOC2)n1
InChIInChI=1S/C18H29N3O2/c1-18(2)7-4-13(5-8-18)10-19-17(22)15-11-21(3)20-16(15)14-6-9-23-12-14/h11,13-14H,4-10,12H2,1-3H3,(H,19,22)/t14-/m1/s1
InChIKeyYZXYNLZVFTZVJX-CQSZACIVSA-N
MW319.45 g/mol
LogP2.87
Rot. Bonds4

About N-[(4,4-dimethylcyclohexyl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide

N-[(4,4-dimethylcyclohexyl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide (PubChem CID 129341540) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[(4,4-dimethylcyclohexyl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,4-dimethylcyclohexyl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
PubChem CID129341540
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[(4,4-dimethylcyclohexyl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2CCC(C)(C)CC2)c([C@@H]2CCOC2)n1
InChIInChI=1S/C18H29N3O2/c1-18(2)7-4-13(5-8-18)10-19-17(22)15-11-21(3)20-16(15)14-6-9-23-12-14/h11,13-14H,4-10,12H2,1-3H3,(H,19,22)/t14-/m1/s1
InChIKeyYZXYNLZVFTZVJX-CQSZACIVSA-N
XLogP2.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129477481
N-cyclobutylsulfonyl-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
CID 136538400
1-methyl-3-(oxolan-3-yl)-N-(1-propylpiperidin-4-yl)pyrazole-4-carboxamide
CID 128995752
1-methyl-3-[(3R)-oxolan-3-yl]-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-carboxamide
CID 129477879
N-[1-(3,5-dimethylphenyl)ethyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
CID 128992476
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129473435
N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129473437
1-methyl-3-(oxolan-3-yl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide
CID 128965565
1-methyl-3-[(3S)-oxolan-3-yl]-N-[(2R)-1-thiophen-2-ylpropan-2-yl]pyrazole-4-carboxamide
CID 129471970
N-[(4,4-dimethylcyclohexyl)methyl]-2-methylpyrazole-3-carboxamide
CID 166874447
1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide
CID 167848659
1-methyl-3-[(3R)-oxolan-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
CID 129472548

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-dimethylcyclohexyl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?
The IUPAC name of N-[(4,4-dimethylcyclohexyl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide (CID 129341540) is N-[(4,4-dimethylcyclohexyl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(4,4-dimethylcyclohexyl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(4,4-dimethylcyclohexyl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide is Cn1cc(C(=O)NCC2CCC(C)(C)CC2)c([C@@H]2CCOC2)n1.
What is the InChIKey of N-[(4,4-dimethylcyclohexyl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?
The InChIKey is YZXYNLZVFTZVJX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-18(2)7-4-13(5-8-18)10-19-17(22)15-11-21(3)20-16(15)14-6-9-23-12-14/h11,13-14H,4-10,12H2,1-3H3,(H,19,22)/t14-/m1/s1.
What are the key properties of N-[(4,4-dimethylcyclohexyl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?
N-[(4,4-dimethylcyclohexyl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-dimethylcyclohexyl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 129341540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).