4-bromo-5-cyclopropyl-N-propyl-1H-pyrazole-3-carboxamide

C10H14BrN3O — CID 47080056

IUPAC4-bromo-5-cyclopropyl-N-propyl-1H-pyrazole-3-carboxamide
SMILESCCCNC(=O)c1n[nH]c(C2CC2)c1Br
InChIInChI=1S/C10H14BrN3O/c1-2-5-12-10(15)9-7(11)8(13-14-9)6-3-4-6/h6H,2-5H2,1H3,(H,12,15)(H,13,14)
InChIKeyQPHCTFZMPSHNIE-UHFFFAOYSA-N
MW272.15 g/mol
LogP2.19
Rot. Bonds4

About 4-bromo-5-cyclopropyl-N-propyl-1H-pyrazole-3-carboxamide

4-bromo-5-cyclopropyl-N-propyl-1H-pyrazole-3-carboxamide (PubChem CID 47080056) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 4-bromo-5-cyclopropyl-N-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-cyclopropyl-N-propyl-1H-pyrazole-3-carboxamide
PubChem CID47080056
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name4-bromo-5-cyclopropyl-N-propyl-1H-pyrazole-3-carboxamide
SMILESCCCNC(=O)c1n[nH]c(C2CC2)c1Br
InChIInChI=1S/C10H14BrN3O/c1-2-5-12-10(15)9-7(11)8(13-14-9)6-3-4-6/h6H,2-5H2,1H3,(H,12,15)(H,13,14)
InChIKeyQPHCTFZMPSHNIE-UHFFFAOYSA-N
XLogP2.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-5-cyclopropyl-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 47426507
(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 47427180
5-(2-methylpropyl)-N-propan-2-yl-1H-pyrazole-3-carboxamide
CID 53504724
(4-bromo-5-methyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone
CID 56821937
4-bromo-5-cyclopropyl-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-1H-pyrazole-3-carboxamide
CID 72151972
5-cyclopropyl-N-(dicyclopropylmethyl)-1H-pyrazole-3-carboxamide
CID 45809037
5-cyclopropyl-N-[2-(diethylamino)ethyl]-1H-pyrazole-3-carboxamide
CID 47186970
4-bromo-N-(cyclopropylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 47374540
4-(4-bromo-3-cyclopropyl-1H-pyrazole-5-carbonyl)morpholine
CID 47426489
1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxamide
CID 47426510
(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 47426561
(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 47426714

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-cyclopropyl-N-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-5-cyclopropyl-N-propyl-1H-pyrazole-3-carboxamide (CID 47080056) is 4-bromo-5-cyclopropyl-N-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-5-cyclopropyl-N-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-5-cyclopropyl-N-propyl-1H-pyrazole-3-carboxamide is CCCNC(=O)c1n[nH]c(C2CC2)c1Br.
What is the InChIKey of 4-bromo-5-cyclopropyl-N-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is QPHCTFZMPSHNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-2-5-12-10(15)9-7(11)8(13-14-9)6-3-4-6/h6H,2-5H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 4-bromo-5-cyclopropyl-N-propyl-1H-pyrazole-3-carboxamide?
4-bromo-5-cyclopropyl-N-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 272.15 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-cyclopropyl-N-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47080056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).