4-bromo-N,5-dicyclopropyl-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrazole-3-carboxamide

C15H20BrN3O2 — CID 95092326

IUPAC4-bromo-N,5-dicyclopropyl-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(c1n[nH]c(C2CC2)c1Br)N(C[C@@H]1CCOC1)C1CC1
InChIInChI=1S/C15H20BrN3O2/c16-12-13(10-1-2-10)17-18-14(12)15(20)19(11-3-4-11)7-9-5-6-21-8-9/h9-11H,1-8H2,(H,17,18)/t9-/m0/s1
InChIKeyAOAORSZHMAGXKB-VIFPVBQESA-N
MW354.25 g/mol
LogP2.69
Rot. Bonds5

About 4-bromo-N,5-dicyclopropyl-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrazole-3-carboxamide

4-bromo-N,5-dicyclopropyl-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 95092326) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 4-bromo-N,5-dicyclopropyl-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N,5-dicyclopropyl-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID95092326
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name4-bromo-N,5-dicyclopropyl-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(c1n[nH]c(C2CC2)c1Br)N(C[C@@H]1CCOC1)C1CC1
InChIInChI=1S/C15H20BrN3O2/c16-12-13(10-1-2-10)17-18-14(12)15(20)19(11-3-4-11)7-9-5-6-21-8-9/h9-11H,1-8H2,(H,17,18)/t9-/m0/s1
InChIKeyAOAORSZHMAGXKB-VIFPVBQESA-N
XLogP2.69
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,5-dicyclopropyl-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N,5-dicyclopropyl-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrazole-3-carboxamide (CID 95092326) is 4-bromo-N,5-dicyclopropyl-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N,5-dicyclopropyl-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N,5-dicyclopropyl-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrazole-3-carboxamide is O=C(c1n[nH]c(C2CC2)c1Br)N(C[C@@H]1CCOC1)C1CC1.
What is the InChIKey of 4-bromo-N,5-dicyclopropyl-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is AOAORSZHMAGXKB-VIFPVBQESA-N. The full InChI is InChI=1S/C15H20BrN3O2/c16-12-13(10-1-2-10)17-18-14(12)15(20)19(11-3-4-11)7-9-5-6-21-8-9/h9-11H,1-8H2,(H,17,18)/t9-/m0/s1.
What are the key properties of 4-bromo-N,5-dicyclopropyl-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrazole-3-carboxamide?
4-bromo-N,5-dicyclopropyl-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 354.25 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,5-dicyclopropyl-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95092326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).