4-bromo-N-(cyclopropylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide

C10H14BrN3O — CID 47374540

IUPAC4-bromo-N-(cyclopropylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(C)CC2CC2)c1Br
InChIInChI=1S/C10H14BrN3O/c1-6-8(11)9(13-12-6)10(15)14(2)5-7-3-4-7/h7H,3-5H2,1-2H3,(H,12,13)
InChIKeyCZKACAQBDGWGLG-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.96
Rot. Bonds3

About 4-bromo-N-(cyclopropylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide

4-bromo-N-(cyclopropylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 47374540) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 4-bromo-N-(cyclopropylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(cyclopropylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID47374540
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name4-bromo-N-(cyclopropylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(C)CC2CC2)c1Br
InChIInChI=1S/C10H14BrN3O/c1-6-8(11)9(13-12-6)10(15)14(2)5-7-3-4-7/h7H,3-5H2,1-2H3,(H,12,13)
InChIKeyCZKACAQBDGWGLG-UHFFFAOYSA-N
XLogP1.96
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N,5-dimethyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 63727250
3-[cyclopropylmethyl(methyl)carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65372701
5-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65389215
5-cyclopropyl-3-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 65371164
N,3,5-trimethyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide
CID 63707078
5-amino-N-(cyclopentylmethyl)-N-methyl-1H-indazole-3-carboxamide
CID 63632080
4-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide
CID 63878192
4-amino-5-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 63233091
N-methyl-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
CID 64982701
3-[cyclopropyl(cyclopropylmethyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 65398428
2-[1-(4-bromo-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]acetamide
CID 47374378
3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 119228143

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(cyclopropylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(cyclopropylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide (CID 47374540) is 4-bromo-N-(cyclopropylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(cyclopropylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(cyclopropylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)N(C)CC2CC2)c1Br.
What is the InChIKey of 4-bromo-N-(cyclopropylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is CZKACAQBDGWGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-6-8(11)9(13-12-6)10(15)14(2)5-7-3-4-7/h7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 4-bromo-N-(cyclopropylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide?
4-bromo-N-(cyclopropylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 272.15 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(cyclopropylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47374540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).