1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride

C14H19ClN4O — CID 119501619

IUPAC1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
SMILESCNCCNC(=O)c1cnn(Cc2ccccc2)c1.Cl
InChIInChI=1S/C14H18N4O.ClH/c1-15-7-8-16-14(19)13-9-17-18(11-13)10-12-5-3-2-4-6-12;/h2-6,9,11,15H,7-8,10H2,1H3,(H,16,19);1H
InChIKeyFCKPICFWCNAWKQ-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.30
Rot. Bonds6

About 1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride

1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride (PubChem CID 119501619) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
PubChem CID119501619
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
SMILESCNCCNC(=O)c1cnn(Cc2ccccc2)c1.Cl
InChIInChI=1S/C14H18N4O.ClH/c1-15-7-8-16-14(19)13-9-17-18(11-13)10-12-5-3-2-4-6-12;/h2-6,9,11,15H,7-8,10H2,1H3,(H,16,19);1H
InChIKeyFCKPICFWCNAWKQ-UHFFFAOYSA-N
XLogP1.30
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.30
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

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CID 27659405
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N-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide
CID 119641319
1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide
CID 111102491
1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 27554728
1-benzyl-N-[2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 42894629
1-benzyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 27230847
1-benzyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-4-carboxamide
CID 74230410

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride (CID 119501619) is 1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride is CNCCNC(=O)c1cnn(Cc2ccccc2)c1.Cl.
What is the InChIKey of 1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride?
The InChIKey is FCKPICFWCNAWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.ClH/c1-15-7-8-16-14(19)13-9-17-18(11-13)10-12-5-3-2-4-6-12;/h2-6,9,11,15H,7-8,10H2,1H3,(H,16,19);1H.
What are the key properties of 1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride?
1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride has a molecular weight of 294.79 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119501619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).