4-bromo-N-cyclohexyl-N,5-dicyclopropyl-1H-pyrazole-3-carboxamide

C16H22BrN3O — CID 56799432

IUPAC4-bromo-N-cyclohexyl-N,5-dicyclopropyl-1H-pyrazole-3-carboxamide
SMILESO=C(c1n[nH]c(C2CC2)c1Br)N(C1CCCCC1)C1CC1
InChIInChI=1S/C16H22BrN3O/c17-13-14(10-6-7-10)18-19-15(13)16(21)20(12-8-9-12)11-4-2-1-3-5-11/h10-12H,1-9H2,(H,18,19)
InChIKeyXVKVIPBBCPZJCN-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.99
Rot. Bonds4

About 4-bromo-N-cyclohexyl-N,5-dicyclopropyl-1H-pyrazole-3-carboxamide

4-bromo-N-cyclohexyl-N,5-dicyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 56799432) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 4-bromo-N-cyclohexyl-N,5-dicyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-cyclohexyl-N,5-dicyclopropyl-1H-pyrazole-3-carboxamide
PubChem CID56799432
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name4-bromo-N-cyclohexyl-N,5-dicyclopropyl-1H-pyrazole-3-carboxamide
SMILESO=C(c1n[nH]c(C2CC2)c1Br)N(C1CCCCC1)C1CC1
InChIInChI=1S/C16H22BrN3O/c17-13-14(10-6-7-10)18-19-15(13)16(21)20(12-8-9-12)11-4-2-1-3-5-11/h10-12H,1-9H2,(H,18,19)
InChIKeyXVKVIPBBCPZJCN-UHFFFAOYSA-N
XLogP3.99
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclohexyl-N,5-dicyclopropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-cyclohexyl-N,5-dicyclopropyl-1H-pyrazole-3-carboxamide (CID 56799432) is 4-bromo-N-cyclohexyl-N,5-dicyclopropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-cyclohexyl-N,5-dicyclopropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-cyclohexyl-N,5-dicyclopropyl-1H-pyrazole-3-carboxamide is O=C(c1n[nH]c(C2CC2)c1Br)N(C1CCCCC1)C1CC1.
What is the InChIKey of 4-bromo-N-cyclohexyl-N,5-dicyclopropyl-1H-pyrazole-3-carboxamide?
The InChIKey is XVKVIPBBCPZJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c17-13-14(10-6-7-10)18-19-15(13)16(21)20(12-8-9-12)11-4-2-1-3-5-11/h10-12H,1-9H2,(H,18,19).
What are the key properties of 4-bromo-N-cyclohexyl-N,5-dicyclopropyl-1H-pyrazole-3-carboxamide?
4-bromo-N-cyclohexyl-N,5-dicyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 352.28 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclohexyl-N,5-dicyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56799432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).