N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-3-cyclopentylpyrrolidine-1-carboxamide

C15H23BrN4O — CID 128854687

IUPACN-[(4-bromo-1-methylpyrazol-3-yl)methyl]-3-cyclopentylpyrrolidine-1-carboxamide
SMILESCn1cc(Br)c(CNC(=O)N2CCC(C3CCCC3)C2)n1
InChIInChI=1S/C15H23BrN4O/c1-19-10-13(16)14(18-19)8-17-15(21)20-7-6-12(9-20)11-4-2-3-5-11/h10-12H,2-9H2,1H3,(H,17,21)
InChIKeyAKUHEKPWRDDSAY-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.90
Rot. Bonds3

About N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-3-cyclopentylpyrrolidine-1-carboxamide

N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-3-cyclopentylpyrrolidine-1-carboxamide (PubChem CID 128854687) has the molecular formula C15H23BrN4O and a molecular weight of 355.28 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-3-cyclopentylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-3-yl)methyl]-3-cyclopentylpyrrolidine-1-carboxamide
PubChem CID128854687
Molecular FormulaC15H23BrN4O
Molecular Weight355.28 g/mol
Exact Mass354.11
IUPAC NameN-[(4-bromo-1-methylpyrazol-3-yl)methyl]-3-cyclopentylpyrrolidine-1-carboxamide
SMILESCn1cc(Br)c(CNC(=O)N2CCC(C3CCCC3)C2)n1
InChIInChI=1S/C15H23BrN4O/c1-19-10-13(16)14(18-19)8-17-15(21)20-7-6-12(9-20)11-4-2-3-5-11/h10-12H,2-9H2,1H3,(H,17,21)
InChIKeyAKUHEKPWRDDSAY-UHFFFAOYSA-N
XLogP2.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromo-1-methylpyrazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122016380
3-cyclopropyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 126806353
(E)-N-[(4-bromo-1-methylpyrazol-3-yl)methyl]but-2-enamide
CID 131247580
N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-4-cyclobutyloxypiperidine-1-carboxamide
CID 128781624
N-[(4-bromo-1-methylpyrazol-3-yl)methyl]cyclohexanamine;hydrochloride
CID 166449724
(4aS,8aS)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 94030810
(4aS,8aR)-N-[(2,4-dihydroxyphenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 122561212
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(1-methylpyrazol-4-yl)methanone
CID 51220232
(3S)-3-[(dimethylamino)methyl]-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 99628750
3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]piperidine-1-carboxamide
CID 138010574
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]ethanone
CID 126758675
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonylamino)-2-hydroxybutanoic acid
CID 107838571

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-3-cyclopentylpyrrolidine-1-carboxamide?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-3-cyclopentylpyrrolidine-1-carboxamide (CID 128854687) is N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-3-cyclopentylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-3-cyclopentylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-3-cyclopentylpyrrolidine-1-carboxamide is Cn1cc(Br)c(CNC(=O)N2CCC(C3CCCC3)C2)n1.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-3-cyclopentylpyrrolidine-1-carboxamide?
The InChIKey is AKUHEKPWRDDSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O/c1-19-10-13(16)14(18-19)8-17-15(21)20-7-6-12(9-20)11-4-2-3-5-11/h10-12H,2-9H2,1H3,(H,17,21).
What are the key properties of N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-3-cyclopentylpyrrolidine-1-carboxamide?
N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-3-cyclopentylpyrrolidine-1-carboxamide has a molecular weight of 355.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-3-cyclopentylpyrrolidine-1-carboxamide is sourced from PubChem (CID 128854687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).