N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride

C14H17ClN4O — CID 119707800

IUPACN-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCNC1
InChIInChI=1S/C14H16N4O.ClH/c19-14(11-4-6-15-9-11)17-12-3-1-2-10(8-12)13-5-7-16-18-13;/h1-3,5,7-8,11,15H,4,6,9H2,(H,16,18)(H,17,19);1H
InChIKeyBITMXXWMSVBMIZ-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.05
Rot. Bonds3

About N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride

N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119707800) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119707800
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC NameN-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCNC1
InChIInChI=1S/C14H16N4O.ClH/c19-14(11-4-6-15-9-11)17-12-3-1-2-10(8-12)13-5-7-16-18-13;/h1-3,5,7-8,11,15H,4,6,9H2,(H,16,18)(H,17,19);1H
InChIKeyBITMXXWMSVBMIZ-UHFFFAOYSA-N
XLogP2.05
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839204
N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 43713244
N-[3-(1H-pyrazol-5-yl)phenyl]azepane-2-carboxamide
CID 64563413
N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine
CID 79730682
N-[3-(1H-pyrazol-5-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 138013343
N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 63006855
(3R)-N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 94916708
3-amino-N-[3-(1H-pyrazol-5-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119707776
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119708664
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
2-cyclopropyl-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 37044565

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119707800) is N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCNC1.
What is the InChIKey of N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is BITMXXWMSVBMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O.ClH/c19-14(11-4-6-15-9-11)17-12-3-1-2-10(8-12)13-5-7-16-18-13;/h1-3,5,7-8,11,15H,4,6,9H2,(H,16,18)(H,17,19);1H.
What are the key properties of N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 292.77 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119707800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).