N-(2-butyl-5-methylpyrazol-3-yl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

C19H25N5O2 — CID 134698678

IUPACN-(2-butyl-5-methylpyrazol-3-yl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCCCn1nc(C)cc1NC(=O)C1CC(=O)N(Cc2ccncc2)C1
InChIInChI=1S/C19H25N5O2/c1-3-4-9-24-17(10-14(2)22-24)21-19(26)16-11-18(25)23(13-16)12-15-5-7-20-8-6-15/h5-8,10,16H,3-4,9,11-13H2,1-2H3,(H,21,26)
InChIKeyLVQXHWLYDGHWDO-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.37
Rot. Bonds7

About N-(2-butyl-5-methylpyrazol-3-yl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

N-(2-butyl-5-methylpyrazol-3-yl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 134698678) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(2-butyl-5-methylpyrazol-3-yl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-butyl-5-methylpyrazol-3-yl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID134698678
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-(2-butyl-5-methylpyrazol-3-yl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCCCn1nc(C)cc1NC(=O)C1CC(=O)N(Cc2ccncc2)C1
InChIInChI=1S/C19H25N5O2/c1-3-4-9-24-17(10-14(2)22-24)21-19(26)16-11-18(25)23(13-16)12-15-5-7-20-8-6-15/h5-8,10,16H,3-4,9,11-13H2,1-2H3,(H,21,26)
InChIKeyLVQXHWLYDGHWDO-UHFFFAOYSA-N
XLogP2.37
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzyl-5-methylpyrazol-3-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 55551408
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5-oxo-1-pentyl-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 42882093
(3S)-1-butyl-5-oxo-N-[4-(pyridin-4-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
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5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-3-carboxamide
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5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
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(3S)-N-(4-bromo-3-methylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
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N-[2-(3,5-difluorophenyl)ethyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 74234232
N-(2-butylpyrazol-3-yl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55674367
N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 72926887
N-(5-methoxy-1,3-benzothiazol-2-yl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-butyl-5-methylpyrazol-3-yl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-butyl-5-methylpyrazol-3-yl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (CID 134698678) is N-(2-butyl-5-methylpyrazol-3-yl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-butyl-5-methylpyrazol-3-yl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-butyl-5-methylpyrazol-3-yl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is CCCCn1nc(C)cc1NC(=O)C1CC(=O)N(Cc2ccncc2)C1.
What is the InChIKey of N-(2-butyl-5-methylpyrazol-3-yl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is LVQXHWLYDGHWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-3-4-9-24-17(10-14(2)22-24)21-19(26)16-11-18(25)23(13-16)12-15-5-7-20-8-6-15/h5-8,10,16H,3-4,9,11-13H2,1-2H3,(H,21,26).
What are the key properties of N-(2-butyl-5-methylpyrazol-3-yl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
N-(2-butyl-5-methylpyrazol-3-yl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyl-5-methylpyrazol-3-yl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 134698678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).