2-(hydroxymethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide

C11H18N4O2 — CID 111427948

IUPAC2-(hydroxymethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCn1nccc1CNC(=O)N1CCCC1CO
InChIInChI=1S/C11H18N4O2/c1-14-9(4-5-13-14)7-12-11(17)15-6-2-3-10(15)8-16/h4-5,10,16H,2-3,6-8H2,1H3,(H,12,17)
InChIKeyBWLLMZQQVYDKOD-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.09
Rot. Bonds3

About 2-(hydroxymethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide

2-(hydroxymethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 111427948) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID111427948
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-(hydroxymethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCn1nccc1CNC(=O)N1CCCC1CO
InChIInChI=1S/C11H18N4O2/c1-14-9(4-5-13-14)7-12-11(17)15-6-2-3-10(15)8-16/h4-5,10,16H,2-3,6-8H2,1H3,(H,12,17)
InChIKeyBWLLMZQQVYDKOD-UHFFFAOYSA-N
XLogP0.09
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 111428254
(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 111427679
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 110909640
1-[(2-methylpyrazol-3-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438736
1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 103009203
2-[1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79605623
(2R)-2-(hydroxymethyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidine-1-carboxamide
CID 125438910
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111619164
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 111956101
2-(hydroxymethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 111427840
1-(1-cyclopropylethyl)-1-methyl-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 87007413

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide (CID 111427948) is 2-(hydroxymethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide is Cn1nccc1CNC(=O)N1CCCC1CO.
What is the InChIKey of 2-(hydroxymethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is BWLLMZQQVYDKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-14-9(4-5-13-14)7-12-11(17)15-6-2-3-10(15)8-16/h4-5,10,16H,2-3,6-8H2,1H3,(H,12,17).
What are the key properties of 2-(hydroxymethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide?
2-(hydroxymethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111427948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).