N-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide

C9H13N3O2 — CID 103881085

IUPACN-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2(CO)CC2)n1
InChIInChI=1S/C9H13N3O2/c1-12-5-2-7(11-12)8(14)10-9(6-13)3-4-9/h2,5,13H,3-4,6H2,1H3,(H,10,14)
InChIKeyUNYLKSNONNQYNB-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.33
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide

N-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide (PubChem CID 103881085) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide
PubChem CID103881085
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2(CO)CC2)n1
InChIInChI=1S/C9H13N3O2/c1-12-5-2-7(11-12)8(14)10-9(6-13)3-4-9/h2,5,13H,3-4,6H2,1H3,(H,10,14)
InChIKeyUNYLKSNONNQYNB-UHFFFAOYSA-N
XLogP-0.33
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 113344802
N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55082531
1-[1-(hydroxymethyl)cyclopentyl]-3-(1-methylpyrazol-3-yl)urea
CID 111926215
N-[4-(hydroxymethyl)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103954300
N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62517563
N-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide
CID 104580688
N-[1-(hydroxymethyl)cyclohexyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62519875
N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide
CID 168957468
1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]-1-adamantyl]pyrazole-3-carboxamide
CID 44633202
1-butyl-N-[1-(hydroxymethyl)cyclobutyl]-6-oxopyridazine-3-carboxamide
CID 115877901
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide
CID 103123164
N-[4-(hydroxymethyl)oxan-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 103954223

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide (CID 103881085) is N-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NC2(CO)CC2)n1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is UNYLKSNONNQYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12-5-2-7(11-12)8(14)10-9(6-13)3-4-9/h2,5,13H,3-4,6H2,1H3,(H,10,14).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide?
N-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 195.22 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103881085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).