N-[1-(5-bromo-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide

C12H15BrN4O2 — CID 121271035

IUPACN-[1-(5-bromo-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C(=O)c2cc(Br)[nH]n2)C1)C1CC1
InChIInChI=1S/C12H15BrN4O2/c13-10-5-9(15-16-10)12(19)17-4-3-8(6-17)14-11(18)7-1-2-7/h5,7-8H,1-4,6H2,(H,14,18)(H,15,16)
InChIKeyGAHHRYXTGZYXKT-UHFFFAOYSA-N
MW327.18 g/mol
LogP0.91
Rot. Bonds3

About N-[1-(5-bromo-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide

N-[1-(5-bromo-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 121271035) has the molecular formula C12H15BrN4O2 and a molecular weight of 327.18 g/mol. Its IUPAC name is N-[1-(5-bromo-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(5-bromo-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID121271035
Molecular FormulaC12H15BrN4O2
Molecular Weight327.18 g/mol
Exact Mass326.04
IUPAC NameN-[1-(5-bromo-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C(=O)c2cc(Br)[nH]n2)C1)C1CC1
InChIInChI=1S/C12H15BrN4O2/c13-10-5-9(15-16-10)12(19)17-4-3-8(6-17)14-11(18)7-1-2-7/h5,7-8H,1-4,6H2,(H,14,18)(H,15,16)
InChIKeyGAHHRYXTGZYXKT-UHFFFAOYSA-N
XLogP0.91
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-2H-pyrazole-3-carboxylic acid methylamide
CID 76963830
US10022354, Example 209
CID 132070225
Cyclaniliprole metabolite (YT-1327)
CID 165363159
[3-Bromo-5-[3-(cyclopropanecarbonylamino)pyrrolidine-1-carbonyl]pyrazol-1-yl] thiohypofluorite
CID 145062452
5-bromo-N-[(3,3-difluorocyclopentyl)methyl]-1H-pyrazole-3-carboxamide
CID 139020714
[(2R)-4-(5-bromo-1H-pyrazole-3-carbonyl)-2-methylpiperazin-1-yl]-(5-fluoro-1H-pyrazol-3-yl)methanone
CID 166368671
3-[[(5-bromo-1H-pyrazole-3-carbonyl)amino]methyl]azetidine-1-sulfonyl fluoride
CID 166414309
3-[(5-bromo-1H-pyrazole-3-carbonyl)amino]pyrrolidine-1-sulfonyl fluoride
CID 166419831
5-bromo-N,N-dimethyl-1H-pyrazole-3-carboxamide
CID 130842150
3-bromo-5-methyl-1H-pyrazole;N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide
CID 145062823
5-bromo-N-(2-cyclopropyl-2-oxoethyl)-1H-pyrazole-3-carboxamide
CID 171660915
(5-bromo-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 175726981

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(5-bromo-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide (CID 121271035) is N-[1-(5-bromo-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(5-bromo-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(5-bromo-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide is O=C(NC1CCN(C(=O)c2cc(Br)[nH]n2)C1)C1CC1.
What is the InChIKey of N-[1-(5-bromo-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is GAHHRYXTGZYXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2/c13-10-5-9(15-16-10)12(19)17-4-3-8(6-17)14-11(18)7-1-2-7/h5,7-8H,1-4,6H2,(H,14,18)(H,15,16).
What are the key properties of N-[1-(5-bromo-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
N-[1-(5-bromo-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 327.18 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121271035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).