5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide

C11H17N5O2 — CID 110272256

IUPAC5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1C1CCCN1C(=O)CN
InChIInChI=1S/C11H17N5O2/c1-13-11(18)7-6-14-15-10(7)8-3-2-4-16(8)9(17)5-12/h6,8H,2-5,12H2,1H3,(H,13,18)(H,14,15)
InChIKeyLOBXDUNOCFLRRG-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.61
Rot. Bonds3

About 5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide

5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 110272256) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID110272256
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1C1CCCN1C(=O)CN
InChIInChI=1S/C11H17N5O2/c1-13-11(18)7-6-14-15-10(7)8-3-2-4-16(8)9(17)5-12/h6,8H,2-5,12H2,1H3,(H,13,18)(H,14,15)
InChIKeyLOBXDUNOCFLRRG-UHFFFAOYSA-N
XLogP-0.61
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
CID 110272292
N-methyl-5-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
CID 110272277
N-methyl-5-[1-(oxan-4-yl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
CID 110272260
N-methyl-5-[(2S)-1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
CID 95848415
5-[(2S)-1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95826977
1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 95824362
5-[(2S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
CID 95848436
2-ethoxy-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 73439591
5-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110259110
1-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 110272293
5-[1-[3-(2-methylphenoxy)propanoyl]piperidin-2-yl]-1H-pyrazole-4-carboxylic acid
CID 154782740
1-[2-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124974089

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide (CID 110272256) is 5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide is CNC(=O)c1cn[nH]c1C1CCCN1C(=O)CN.
What is the InChIKey of 5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is LOBXDUNOCFLRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-13-11(18)7-6-14-15-10(7)8-3-2-4-16(8)9(17)5-12/h6,8H,2-5,12H2,1H3,(H,13,18)(H,14,15).
What are the key properties of 5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide?
5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110272256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).