N-(2-bromo-2-cyclopropylethyl)-5-methyl-1H-pyrazole-4-carboxamide

C10H14BrN3O — CID 114315935

IUPACN-(2-bromo-2-cyclopropylethyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCC(Br)C1CC1
InChIInChI=1S/C10H14BrN3O/c1-6-8(4-13-14-6)10(15)12-5-9(11)7-2-3-7/h4,7,9H,2-3,5H2,1H3,(H,12,15)(H,13,14)
InChIKeyZRAFJWKRMNNVLQ-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.62
Rot. Bonds4

About N-(2-bromo-2-cyclopropylethyl)-5-methyl-1H-pyrazole-4-carboxamide

N-(2-bromo-2-cyclopropylethyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 114315935) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is N-(2-bromo-2-cyclopropylethyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-2-cyclopropylethyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID114315935
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC NameN-(2-bromo-2-cyclopropylethyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCC(Br)C1CC1
InChIInChI=1S/C10H14BrN3O/c1-6-8(4-13-14-6)10(15)12-5-9(11)7-2-3-7/h4,7,9H,2-3,5H2,1H3,(H,12,15)(H,13,14)
InChIKeyZRAFJWKRMNNVLQ-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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CID 79080022
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CID 62400684
N-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-carboxamide
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2-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]butanoic acid
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methyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate
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N-(2-bromo-2-cyclopropylethyl)-2-methylpyridine-3-carboxamide
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2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide
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N-(2-bromo-2-cyclopropylethyl)-6-methylpyridine-3-carboxamide
CID 114315764
N-(2-bromo-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide
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5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1H-pyrazole-4-carboxamide
CID 63372842
N-[(3-chlorocyclopentyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 106127007

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-cyclopropylethyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-bromo-2-cyclopropylethyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 114315935) is N-(2-bromo-2-cyclopropylethyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-bromo-2-cyclopropylethyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-bromo-2-cyclopropylethyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NCC(Br)C1CC1.
What is the InChIKey of N-(2-bromo-2-cyclopropylethyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is ZRAFJWKRMNNVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-6-8(4-13-14-6)10(15)12-5-9(11)7-2-3-7/h4,7,9H,2-3,5H2,1H3,(H,12,15)(H,13,14).
What are the key properties of N-(2-bromo-2-cyclopropylethyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(2-bromo-2-cyclopropylethyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 272.15 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-cyclopropylethyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 114315935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).