4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide

C14H14BrN3O — CID 95749420

IUPAC4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(CC2CC2)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrN3O/c15-12-5-3-11(4-6-12)14(19)17-13-7-16-18(9-13)8-10-1-2-10/h3-7,9-10H,1-2,8H2,(H,17,19)
InChIKeyLVVBAUDQACHRHY-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.31
Rot. Bonds4

About 4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide

4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide (PubChem CID 95749420) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide
PubChem CID95749420
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(CC2CC2)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrN3O/c15-12-5-3-11(4-6-12)14(19)17-13-7-16-18(9-13)8-10-1-2-10/h3-7,9-10H,1-2,8H2,(H,17,19)
InChIKeyLVVBAUDQACHRHY-UHFFFAOYSA-N
XLogP3.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622120
N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 95749448
4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622047
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95749180
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide
CID 90622137
4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]benzoic acid
CID 146136886
3-(2-aminocyclopropyl)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide
CID 118304860
4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
CID 90597657
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-cyanobenzamide
CID 35277892
[2-[3-[[1-(cyclopropylmethyl)pyrazol-4-yl]carbamoyl]phenyl]cyclopropyl]carbamic acid
CID 118305146
4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185
3-[2-(cyclopropylmethylamino)cyclopropyl]-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide;dihydrochloride
CID 118304420

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide (CID 95749420) is 4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide is O=C(Nc1cnn(CC2CC2)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide?
The InChIKey is LVVBAUDQACHRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c15-12-5-3-11(4-6-12)14(19)17-13-7-16-18(9-13)8-10-1-2-10/h3-7,9-10H,1-2,8H2,(H,17,19).
What are the key properties of 4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide?
4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide has a molecular weight of 320.19 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 95749420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).