1-(4-bromophenyl)-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide

C17H20BrN3O2 — CID 55792306

IUPAC1-(4-bromophenyl)-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide
SMILESO=C(NCCCOCC1CC1)c1cnn(-c2ccc(Br)cc2)c1
InChIInChI=1S/C17H20BrN3O2/c18-15-4-6-16(7-5-15)21-11-14(10-20-21)17(22)19-8-1-9-23-12-13-2-3-13/h4-7,10-11,13H,1-3,8-9,12H2,(H,19,22)
InChIKeyOSKJVHNJVBUNRL-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.18
Rot. Bonds8

About 1-(4-bromophenyl)-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide

1-(4-bromophenyl)-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide (PubChem CID 55792306) has the molecular formula C17H20BrN3O2 and a molecular weight of 378.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide
PubChem CID55792306
Molecular FormulaC17H20BrN3O2
Molecular Weight378.27 g/mol
Exact Mass377.07
IUPAC Name1-(4-bromophenyl)-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide
SMILESO=C(NCCCOCC1CC1)c1cnn(-c2ccc(Br)cc2)c1
InChIInChI=1S/C17H20BrN3O2/c18-15-4-6-16(7-5-15)21-11-14(10-20-21)17(22)19-8-1-9-23-12-13-2-3-13/h4-7,10-11,13H,1-3,8-9,12H2,(H,19,22)
InChIKeyOSKJVHNJVBUNRL-UHFFFAOYSA-N
XLogP3.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyclopropylmethoxy)propyl]-1-phenylpyrazole-4-carboxamide
CID 18120950
1-(4-bromophenyl)-N-(3-hydroxypropyl)pyrazole-4-carboxamide
CID 78888800
1-(4-bromophenyl)-N-hexylpyrazole-4-carboxamide
CID 55771523
1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide
CID 47242136
1-(4-bromophenyl)-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]pyrazole-4-carboxamide
CID 55964472
N-(3-anilinopropyl)-1-(4-bromophenyl)pyrazole-4-carboxamide
CID 56586341
1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide
CID 50772943
1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119508703
1-[(2-chlorophenyl)methyl]-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide
CID 18132255
N-(3-aminobutyl)-1-(4-bromophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119498873
1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119513926
1-(4-bromophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119453521

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide (CID 55792306) is 1-(4-bromophenyl)-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide is O=C(NCCCOCC1CC1)c1cnn(-c2ccc(Br)cc2)c1.
What is the InChIKey of 1-(4-bromophenyl)-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide?
The InChIKey is OSKJVHNJVBUNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O2/c18-15-4-6-16(7-5-15)21-11-14(10-20-21)17(22)19-8-1-9-23-12-13-2-3-13/h4-7,10-11,13H,1-3,8-9,12H2,(H,19,22).
What are the key properties of 1-(4-bromophenyl)-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide?
1-(4-bromophenyl)-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide has a molecular weight of 378.27 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55792306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).