5-bromo-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-1H-pyrazole-3-carboxamide

C14H19BrN4O2 — CID 146107608

IUPAC5-bromo-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCN(C2CCCCC2)C1=O)c1cc(Br)[nH]n1
InChIInChI=1S/C14H19BrN4O2/c15-12-8-11(17-18-12)13(20)16-10-6-7-19(14(10)21)9-4-2-1-3-5-9/h8-10H,1-7H2,(H,16,20)(H,17,18)
InChIKeyBWOPAMZCJXATLD-UHFFFAOYSA-N
MW355.24 g/mol
LogP1.84
Rot. Bonds3

About 5-bromo-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-1H-pyrazole-3-carboxamide

5-bromo-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-1H-pyrazole-3-carboxamide (PubChem CID 146107608) has the molecular formula C14H19BrN4O2 and a molecular weight of 355.24 g/mol. Its IUPAC name is 5-bromo-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
PubChem CID146107608
Molecular FormulaC14H19BrN4O2
Molecular Weight355.24 g/mol
Exact Mass354.07
IUPAC Name5-bromo-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCN(C2CCCCC2)C1=O)c1cc(Br)[nH]n1
InChIInChI=1S/C14H19BrN4O2/c15-12-8-11(17-18-12)13(20)16-10-6-7-19(14(10)21)9-4-2-1-3-5-9/h8-10H,1-7H2,(H,16,20)(H,17,18)
InChIKeyBWOPAMZCJXATLD-UHFFFAOYSA-N
XLogP1.84
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-bromo-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-1H-pyrazole-3-carboxamide (CID 146107608) is 5-bromo-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-1H-pyrazole-3-carboxamide is O=C(NC1CCN(C2CCCCC2)C1=O)c1cc(Br)[nH]n1.
What is the InChIKey of 5-bromo-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is BWOPAMZCJXATLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O2/c15-12-8-11(17-18-12)13(20)16-10-6-7-19(14(10)21)9-4-2-1-3-5-9/h8-10H,1-7H2,(H,16,20)(H,17,18).
What are the key properties of 5-bromo-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-1H-pyrazole-3-carboxamide?
5-bromo-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 355.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 146107608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).