N-(3-anilinopropyl)-1-(4-bromophenyl)pyrazole-4-carboxamide

C19H19BrN4O — CID 56586341

IUPACN-(3-anilinopropyl)-1-(4-bromophenyl)pyrazole-4-carboxamide
SMILESO=C(NCCCNc1ccccc1)c1cnn(-c2ccc(Br)cc2)c1
InChIInChI=1S/C19H19BrN4O/c20-16-7-9-18(10-8-16)24-14-15(13-23-24)19(25)22-12-4-11-21-17-5-2-1-3-6-17/h1-3,5-10,13-14,21H,4,11-12H2,(H,22,25)
InChIKeyHNUUASKQFNMSNT-UHFFFAOYSA-N
MW399.29 g/mol
LogP3.87
Rot. Bonds7

About N-(3-anilinopropyl)-1-(4-bromophenyl)pyrazole-4-carboxamide

N-(3-anilinopropyl)-1-(4-bromophenyl)pyrazole-4-carboxamide (PubChem CID 56586341) has the molecular formula C19H19BrN4O and a molecular weight of 399.29 g/mol. Its IUPAC name is N-(3-anilinopropyl)-1-(4-bromophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-anilinopropyl)-1-(4-bromophenyl)pyrazole-4-carboxamide
PubChem CID56586341
Molecular FormulaC19H19BrN4O
Molecular Weight399.29 g/mol
Exact Mass398.07
IUPAC NameN-(3-anilinopropyl)-1-(4-bromophenyl)pyrazole-4-carboxamide
SMILESO=C(NCCCNc1ccccc1)c1cnn(-c2ccc(Br)cc2)c1
InChIInChI=1S/C19H19BrN4O/c20-16-7-9-18(10-8-16)24-14-15(13-23-24)19(25)22-12-4-11-21-17-5-2-1-3-6-17/h1-3,5-10,13-14,21H,4,11-12H2,(H,22,25)
InChIKeyHNUUASKQFNMSNT-UHFFFAOYSA-N
XLogP3.87
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-anilinopropyl)-1-(4-bromophenyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-N-(3-hydroxypropyl)pyrazole-4-carboxamide
CID 78888800
1-(4-bromophenyl)-N-hexylpyrazole-4-carboxamide
CID 55771523
N-(3-aminobutyl)-1-(4-bromophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119498873
1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119508703
1-(4-bromophenyl)-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide
CID 55792306
N-(4-bromopentyl)-1-phenylpyrazole-4-carboxamide
CID 106131314
1-(4-bromophenyl)-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]pyrazole-4-carboxamide
CID 55964472
1-(4-bromophenyl)-N-[(3-bromophenyl)methyl]pyrazole-4-carboxamide
CID 50772799
1-(4-bromophenyl)pyrazole-4-carboxylic acid
CID 11601417
N-(3-amino-3-sulfanylidenepropyl)-1-phenylpyrazole-4-carboxamide
CID 55101990
N-(3-amino-3-hydroxyiminopropyl)-1-phenylpyrazole-4-carboxamide
CID 76948217
1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide
CID 47242136

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinopropyl)-1-(4-bromophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(3-anilinopropyl)-1-(4-bromophenyl)pyrazole-4-carboxamide (CID 56586341) is N-(3-anilinopropyl)-1-(4-bromophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-anilinopropyl)-1-(4-bromophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(3-anilinopropyl)-1-(4-bromophenyl)pyrazole-4-carboxamide is O=C(NCCCNc1ccccc1)c1cnn(-c2ccc(Br)cc2)c1.
What is the InChIKey of N-(3-anilinopropyl)-1-(4-bromophenyl)pyrazole-4-carboxamide?
The InChIKey is HNUUASKQFNMSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O/c20-16-7-9-18(10-8-16)24-14-15(13-23-24)19(25)22-12-4-11-21-17-5-2-1-3-6-17/h1-3,5-10,13-14,21H,4,11-12H2,(H,22,25).
What are the key properties of N-(3-anilinopropyl)-1-(4-bromophenyl)pyrazole-4-carboxamide?
N-(3-anilinopropyl)-1-(4-bromophenyl)pyrazole-4-carboxamide has a molecular weight of 399.29 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinopropyl)-1-(4-bromophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 56586341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).