1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride

C14H18BrClN4O — CID 119508703

IUPAC1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1cnn(-c2ccc(Br)cc2)c1.Cl
InChIInChI=1S/C14H17BrN4O.ClH/c1-2-16-7-8-17-14(20)11-9-18-19(10-11)13-5-3-12(15)4-6-13;/h3-6,9-10,16H,2,7-8H2,1H3,(H,17,20);1H
InChIKeyHCNDRFXCZIMBJK-UHFFFAOYSA-N
MW373.68 g/mol
LogP2.40
Rot. Bonds6

About 1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride

1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride (PubChem CID 119508703) has the molecular formula C14H18BrClN4O and a molecular weight of 373.68 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
PubChem CID119508703
Molecular FormulaC14H18BrClN4O
Molecular Weight373.68 g/mol
Exact Mass372.04
IUPAC Name1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1cnn(-c2ccc(Br)cc2)c1.Cl
InChIInChI=1S/C14H17BrN4O.ClH/c1-2-16-7-8-17-14(20)11-9-18-19(10-11)13-5-3-12(15)4-6-13;/h3-6,9-10,16H,2,7-8H2,1H3,(H,17,20);1H
InChIKeyHCNDRFXCZIMBJK-UHFFFAOYSA-N
XLogP2.40
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.68
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide
CID 119505644
1-(4-bromophenyl)-N-hexylpyrazole-4-carboxamide
CID 55771523
1-(4-bromophenyl)-N-(3-hydroxypropyl)pyrazole-4-carboxamide
CID 78888800
N-(3-aminobutyl)-1-(4-bromophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119498873
N-(3-anilinopropyl)-1-(4-bromophenyl)pyrazole-4-carboxamide
CID 56586341
1-(4-bromophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrazole-4-carboxamide
CID 50772666
1-(4-bromophenyl)-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]pyrazole-4-carboxamide
CID 55964472
1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide
CID 47242136
1-(4-bromophenyl)-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide
CID 55792306
1-(4-bromophenyl)-N-[(3-bromophenyl)methyl]pyrazole-4-carboxamide
CID 50772799
N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]ethanamine
CID 60958392
1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119513926

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride (CID 119508703) is 1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride is CCNCCNC(=O)c1cnn(-c2ccc(Br)cc2)c1.Cl.
What is the InChIKey of 1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride?
The InChIKey is HCNDRFXCZIMBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O.ClH/c1-2-16-7-8-17-14(20)11-9-18-19(10-11)13-5-3-12(15)4-6-13;/h3-6,9-10,16H,2,7-8H2,1H3,(H,17,20);1H.
What are the key properties of 1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride?
1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride has a molecular weight of 373.68 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119508703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).