N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride

C16H21ClN4O — CID 119781688

IUPACN-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCNC1)c1ccccc1-n1cccn1.Cl
InChIInChI=1S/C16H20N4O.ClH/c1-12(19-16(21)13-7-9-17-11-13)14-5-2-3-6-15(14)20-10-4-8-18-20;/h2-6,8,10,12-13,17H,7,9,11H2,1H3,(H,19,21);1H
InChIKeyCBOBXVJGCIRYCV-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.08
Rot. Bonds4

About N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride

N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119781688) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119781688
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC NameN-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCNC1)c1ccccc1-n1cccn1.Cl
InChIInChI=1S/C16H20N4O.ClH/c1-12(19-16(21)13-7-9-17-11-13)14-5-2-3-6-15(14)20-10-4-8-18-20;/h2-6,8,10,12-13,17H,7,9,11H2,1H3,(H,19,21);1H
InChIKeyCBOBXVJGCIRYCV-UHFFFAOYSA-N
XLogP2.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119781657
N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119338096
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
cis-(1S,3R)-2,2-dimethyl-3-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122065752
1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120550077
2-methyl-3-oxo-3-[1-(2-pyrazol-1-ylphenyl)ethylamino]propanoic acid
CID 122065751
1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea
CID 124777004
1-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119322482
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81140463
1-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea
CID 129402976
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119836866

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119781688) is N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride is CC(NC(=O)C1CCNC1)c1ccccc1-n1cccn1.Cl.
What is the InChIKey of N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is CBOBXVJGCIRYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O.ClH/c1-12(19-16(21)13-7-9-17-11-13)14-5-2-3-6-15(14)20-10-4-8-18-20;/h2-6,8,10,12-13,17H,7,9,11H2,1H3,(H,19,21);1H.
What are the key properties of N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119781688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).