1-(5-amino-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-2-carboxamide

C11H17N5O2 — CID 113288544

IUPAC1-(5-amino-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1cnn(C)c1N
InChIInChI=1S/C11H17N5O2/c1-13-10(17)8-4-3-5-16(8)11(18)7-6-14-15(2)9(7)12/h6,8H,3-5,12H2,1-2H3,(H,13,17)
InChIKeyIUBRTGGXNJFSMQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.65
Rot. Bonds2

About 1-(5-amino-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-2-carboxamide

1-(5-amino-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 113288544) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(5-amino-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-amino-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID113288544
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name1-(5-amino-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1cnn(C)c1N
InChIInChI=1S/C11H17N5O2/c1-13-10(17)8-4-3-5-16(8)11(18)7-6-14-15(2)9(7)12/h6,8H,3-5,12H2,1-2H3,(H,13,17)
InChIKeyIUBRTGGXNJFSMQ-UHFFFAOYSA-N
XLogP-0.65
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-amino-1-methylpyrazole-5-carbonyl)-N-methylpiperidine-2-carboxamide
CID 65359724
(5-amino-1-methylpyrazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 113288616
1-(5-amino-2-methylpyridine-3-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 54979008
(2S)-1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 95977610
1-(4-amino-1-methylpyrazole-3-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 65354173
(5-amino-1-methylpyrazol-4-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
CID 114087644
1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 54978967
1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61114622
(5-amino-1-methylpyrazol-4-yl)-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]methanone
CID 166202740
1-(2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61051030
(5-amino-1-methylpyrazol-4-yl)-(azocan-1-yl)methanone
CID 115330379
5-methyl-1-[4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid
CID 119182697

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-amino-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-2-carboxamide (CID 113288544) is 1-(5-amino-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-amino-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-amino-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)c1cnn(C)c1N.
What is the InChIKey of 1-(5-amino-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is IUBRTGGXNJFSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-13-10(17)8-4-3-5-16(8)11(18)7-6-14-15(2)9(7)12/h6,8H,3-5,12H2,1-2H3,(H,13,17).
What are the key properties of 1-(5-amino-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-2-carboxamide?
1-(5-amino-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 113288544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).