N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide

C12H19N3O2 — CID 113294452

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2(CO)CCCC2)cn1
InChIInChI=1S/C12H19N3O2/c1-15-7-10(6-14-15)11(17)13-8-12(9-16)4-2-3-5-12/h6-7,16H,2-5,8-9H2,1H3,(H,13,17)
InChIKeyZJVMFDTVGMBVJN-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.70
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 113294452) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID113294452
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2(CO)CCCC2)cn1
InChIInChI=1S/C12H19N3O2/c1-15-7-10(6-14-15)11(17)13-8-12(9-16)4-2-3-5-12/h6-7,16H,2-5,8-9H2,1H3,(H,13,17)
InChIKeyZJVMFDTVGMBVJN-UHFFFAOYSA-N
XLogP0.70
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide
CID 115364123
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-4-carboxamide
CID 113360016
1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361803
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-methylpyrazole-4-carboxamide
CID 114758126
N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-carboxamide
CID 119259808
2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115360077
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide
CID 115362723
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 80717583
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrazole-4-carboxamide
CID 107846469
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
[1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclopentyl]methanol
CID 103001877
N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide (CID 113294452) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCC2(CO)CCCC2)cn1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is ZJVMFDTVGMBVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15-7-10(6-14-15)11(17)13-8-12(9-16)4-2-3-5-12/h6-7,16H,2-5,8-9H2,1H3,(H,13,17).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 113294452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).