N-methyl-2-[4-(pyrrolidin-2-ylmethylamino)pyrazol-1-yl]acetamide

C11H19N5O — CID 106637998

IUPACN-methyl-2-[4-(pyrrolidin-2-ylmethylamino)pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(NCC2CCCN2)cn1
InChIInChI=1S/C11H19N5O/c1-12-11(17)8-16-7-10(6-15-16)14-5-9-3-2-4-13-9/h6-7,9,13-14H,2-5,8H2,1H3,(H,12,17)
InChIKeyGEPWAWWEYCERRH-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.21
Rot. Bonds5

About N-methyl-2-[4-(pyrrolidin-2-ylmethylamino)pyrazol-1-yl]acetamide

N-methyl-2-[4-(pyrrolidin-2-ylmethylamino)pyrazol-1-yl]acetamide (PubChem CID 106637998) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N-methyl-2-[4-(pyrrolidin-2-ylmethylamino)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(pyrrolidin-2-ylmethylamino)pyrazol-1-yl]acetamide
PubChem CID106637998
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN-methyl-2-[4-(pyrrolidin-2-ylmethylamino)pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(NCC2CCCN2)cn1
InChIInChI=1S/C11H19N5O/c1-12-11(17)8-16-7-10(6-15-16)14-5-9-3-2-4-13-9/h6-7,9,13-14H,2-5,8H2,1H3,(H,12,17)
InChIKeyGEPWAWWEYCERRH-UHFFFAOYSA-N
XLogP-0.21
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2,6-dimethylcyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide
CID 54866416
2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 60932315
(3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide
CID 81124070
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide
CID 54863112
N-methyl-2-[4-(thian-4-ylamino)pyrazol-1-yl]acetamide
CID 54866384
2-[4-[(4-cyclopropylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 79968644
N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119893042
2-[4-[(2-cyclohexyl-2-methoxyethyl)amino]pyrazol-1-yl]-N-methylacetamide
CID 126831054
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-3-ylbutanamide
CID 119728755
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylpropanamide
CID 62211260
2-[4-[(2-ethyl-2-methylcyclopentyl)amino]pyrazol-1-yl]-N-methylacetamide
CID 131962116
1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119511592

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(pyrrolidin-2-ylmethylamino)pyrazol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-(pyrrolidin-2-ylmethylamino)pyrazol-1-yl]acetamide (CID 106637998) is N-methyl-2-[4-(pyrrolidin-2-ylmethylamino)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(pyrrolidin-2-ylmethylamino)pyrazol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-(pyrrolidin-2-ylmethylamino)pyrazol-1-yl]acetamide is CNC(=O)Cn1cc(NCC2CCCN2)cn1.
What is the InChIKey of N-methyl-2-[4-(pyrrolidin-2-ylmethylamino)pyrazol-1-yl]acetamide?
The InChIKey is GEPWAWWEYCERRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-12-11(17)8-16-7-10(6-15-16)14-5-9-3-2-4-13-9/h6-7,9,13-14H,2-5,8H2,1H3,(H,12,17).
What are the key properties of N-methyl-2-[4-(pyrrolidin-2-ylmethylamino)pyrazol-1-yl]acetamide?
N-methyl-2-[4-(pyrrolidin-2-ylmethylamino)pyrazol-1-yl]acetamide has a molecular weight of 237.31 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(pyrrolidin-2-ylmethylamino)pyrazol-1-yl]acetamide is sourced from PubChem (CID 106637998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).