N-[(3-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide

C14H14BrN3O — CID 122131882

IUPACN-[(3-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide
SMILESO=C(c1cn[nH]c1)N(Cc1cccc(Br)c1)C1CC1
InChIInChI=1S/C14H14BrN3O/c15-12-3-1-2-10(6-12)9-18(13-4-5-13)14(19)11-7-16-17-8-11/h1-3,6-8,13H,4-5,9H2,(H,16,17)
InChIKeyXZZFLUIIBXKCJU-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.98
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide

N-[(3-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide (PubChem CID 122131882) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide
PubChem CID122131882
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC NameN-[(3-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide
SMILESO=C(c1cn[nH]c1)N(Cc1cccc(Br)c1)C1CC1
InChIInChI=1S/C14H14BrN3O/c15-12-3-1-2-10(6-12)9-18(13-4-5-13)14(19)11-7-16-17-8-11/h1-3,6-8,13H,4-5,9H2,(H,16,17)
InChIKeyXZZFLUIIBXKCJU-UHFFFAOYSA-N
XLogP2.98
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-aminophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 63086101
N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide
CID 55583180
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55829204
N-[(3-bromophenyl)methyl]-N-cyclopropyl-4-methylsulfinylbenzamide
CID 55594001
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide
CID 112817182
N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55583076
5-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide
CID 62954767
2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid
CID 60825684
N-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide
CID 62960207
N-[(4-aminophenyl)methyl]-3-bromo-N-cyclopropylbenzamide
CID 43460527
3-bromo-N-cyclopropyl-N-(1H-indol-6-ylmethyl)benzamide
CID 39313919
N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-(methoxymethyl)furan-2-carboxamide
CID 78851933

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide (CID 122131882) is N-[(3-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide is O=C(c1cn[nH]c1)N(Cc1cccc(Br)c1)C1CC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide?
The InChIKey is XZZFLUIIBXKCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c15-12-3-1-2-10(6-12)9-18(13-4-5-13)14(19)11-7-16-17-8-11/h1-3,6-8,13H,4-5,9H2,(H,16,17).
What are the key properties of N-[(3-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide?
N-[(3-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 122131882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).