2-(4-bromopyrazol-1-yl)-N-cyclopropylbutanamide

C10H14BrN3O — CID 19549741

IUPAC2-(4-bromopyrazol-1-yl)-N-cyclopropylbutanamide
SMILESCCC(C(=O)NC1CC1)n1cc(Br)cn1
InChIInChI=1S/C10H14BrN3O/c1-2-9(10(15)13-8-3-4-8)14-6-7(11)5-12-14/h5-6,8-9H,2-4H2,1H3,(H,13,15)
InChIKeyZNBVVCSECNBISX-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.88
Rot. Bonds4

About 2-(4-bromopyrazol-1-yl)-N-cyclopropylbutanamide

2-(4-bromopyrazol-1-yl)-N-cyclopropylbutanamide (PubChem CID 19549741) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-cyclopropylbutanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-cyclopropylbutanamide
PubChem CID19549741
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name2-(4-bromopyrazol-1-yl)-N-cyclopropylbutanamide
SMILESCCC(C(=O)NC1CC1)n1cc(Br)cn1
InChIInChI=1S/C10H14BrN3O/c1-2-9(10(15)13-8-3-4-8)14-6-7(11)5-12-14/h5-6,8-9H,2-4H2,1H3,(H,13,15)
InChIKeyZNBVVCSECNBISX-UHFFFAOYSA-N
XLogP1.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)butanamide
CID 19551491
2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide
CID 154834581
2-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)butanamide
CID 19549775
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)butanamide
CID 19551441
2-(4-bromopyrazol-1-yl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]butanamide
CID 19551425
2-(4-bromopyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
CID 19551349
2-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]butanamide
CID 19551375
2-(4-bromopyrazol-1-yl)-N-(1-methylbenzimidazol-2-yl)butanamide
CID 19549763
2-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]butanamide
CID 19551344
4-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19551483
4-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64705445
2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]butanamide
CID 19338080

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-cyclopropylbutanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-cyclopropylbutanamide (CID 19549741) is 2-(4-bromopyrazol-1-yl)-N-cyclopropylbutanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-cyclopropylbutanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-cyclopropylbutanamide is CCC(C(=O)NC1CC1)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-cyclopropylbutanamide?
The InChIKey is ZNBVVCSECNBISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-2-9(10(15)13-8-3-4-8)14-6-7(11)5-12-14/h5-6,8-9H,2-4H2,1H3,(H,13,15).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-cyclopropylbutanamide?
2-(4-bromopyrazol-1-yl)-N-cyclopropylbutanamide has a molecular weight of 272.15 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-cyclopropylbutanamide is sourced from PubChem (CID 19549741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).