N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride

C10H18ClN5O — CID 119446239

IUPACN-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1ccn[nH]1
InChIInChI=1S/C10H17N5O.ClH/c16-10(9-1-2-13-14-9)12-5-8-15-6-3-11-4-7-15;/h1-2,11H,3-8H2,(H,12,16)(H,13,14);1H
InChIKeyULDQTKIWMAXSPL-UHFFFAOYSA-N
MW259.74 g/mol
LogP-0.53
Rot. Bonds4

About N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride

N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride (PubChem CID 119446239) has the molecular formula C10H18ClN5O and a molecular weight of 259.74 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride
PubChem CID119446239
Molecular FormulaC10H18ClN5O
Molecular Weight259.74 g/mol
Exact Mass259.12
IUPAC NameN-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1ccn[nH]1
InChIInChI=1S/C10H17N5O.ClH/c16-10(9-1-2-13-14-9)12-5-8-15-6-3-11-4-7-15;/h1-2,11H,3-8H2,(H,12,16)(H,13,14);1H
InChIKeyULDQTKIWMAXSPL-UHFFFAOYSA-N
XLogP-0.53
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide
CID 43422024
6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 61408387
5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 43600302
N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 46965093
2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride
CID 119447776
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-1H-pyrazole-5-carboxamide
CID 94823486
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 122277494
N-[4-(3-methylpiperidin-1-yl)butyl]-1H-pyrazole-5-carboxamide
CID 56818106
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119260061
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 43600318

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride (CID 119446239) is N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride is Cl.O=C(NCCN1CCNCC1)c1ccn[nH]1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride?
The InChIKey is ULDQTKIWMAXSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O.ClH/c16-10(9-1-2-13-14-9)12-5-8-15-6-3-11-4-7-15;/h1-2,11H,3-8H2,(H,12,16)(H,13,14);1H.
What are the key properties of N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride?
N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride has a molecular weight of 259.74 g/mol, XLogP of -0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119446239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).