4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide

C12H11BrN4O — CID 47080055

IUPAC4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1cccnc1)c1n[nH]c(C2CC2)c1Br
InChIInChI=1S/C12H11BrN4O/c13-9-10(7-3-4-7)16-17-11(9)12(18)15-8-2-1-5-14-6-8/h1-2,5-7H,3-4H2,(H,15,18)(H,16,17)
InChIKeyYVIMPCVWNJCBDN-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.70
Rot. Bonds3

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

4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide (PubChem CID 47080055) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is 4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide
PubChem CID47080055
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC Name4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1cccnc1)c1n[nH]c(C2CC2)c1Br
InChIInChI=1S/C12H11BrN4O/c13-9-10(7-3-4-7)16-17-11(9)12(18)15-8-2-1-5-14-6-8/h1-2,5-7H,3-4H2,(H,15,18)(H,16,17)
InChIKeyYVIMPCVWNJCBDN-UHFFFAOYSA-N
XLogP2.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154893001
6-cyclopropyl-N-pyridin-3-ylpyridine-3-carboxamide
CID 175906033
5-ethyl-4-fluoro-N-pyridin-3-yl-1H-pyrazole-3-carboxamide
CID 134527719
2-benzyl-3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 119233619
4-amino-5-cyclopropyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide
CID 62075948
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89445547
2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide
CID 31745720
2-cyclopropyl-N-pyridin-3-ylimidazo[1,2-b]pyridazine-6-carboxamide
CID 154853972
3-bromo-N-pyridin-3-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 167822765
4-amino-5-cyclopropyl-N-(3-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 62077622
2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 141426406
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide (CID 47080055) is 4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide is O=C(Nc1cccnc1)c1n[nH]c(C2CC2)c1Br.
What is the InChIKey of 4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide?
The InChIKey is YVIMPCVWNJCBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O/c13-9-10(7-3-4-7)16-17-11(9)12(18)15-8-2-1-5-14-6-8/h1-2,5-7H,3-4H2,(H,15,18)(H,16,17).
What are the key properties of 4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide?
4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide has a molecular weight of 307.15 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47080055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).