N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride

C17H22ClFN4O — CID 119292381

IUPACN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1c(C(C)NC(=O)C2CCCN2)cnn1-c1ccc(F)cc1.Cl
InChIInChI=1S/C17H21FN4O.ClH/c1-11(21-17(23)16-4-3-9-19-16)15-10-20-22(12(15)2)14-7-5-13(18)6-8-14;/h5-8,10-11,16,19H,3-4,9H2,1-2H3,(H,21,23);1H
InChIKeyMYAXEOVWJVUEJC-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.67
Rot. Bonds4

About N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride

N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119292381) has the molecular formula C17H22ClFN4O and a molecular weight of 352.84 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119292381
Molecular FormulaC17H22ClFN4O
Molecular Weight352.84 g/mol
Exact Mass352.15
IUPAC NameN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1c(C(C)NC(=O)C2CCCN2)cnn1-c1ccc(F)cc1.Cl
InChIInChI=1S/C17H21FN4O.ClH/c1-11(21-17(23)16-4-3-9-19-16)15-10-20-22(12(15)2)14-7-5-13(18)6-8-14;/h5-8,10-11,16,19H,3-4,9H2,1-2H3,(H,21,23);1H
InChIKeyMYAXEOVWJVUEJC-UHFFFAOYSA-N
XLogP2.67
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119729044
3-amino-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119729016
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119729024
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
CID 56580288
(2S,5R)-5-(aminomethyl)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]oxolane-2-carboxamide
CID 120787930
1-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(oxan-4-yl)urea
CID 129370928
(2S)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119292618
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
(2R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-2-carboxamide
CID 103808929
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885634
(2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523485
(2S)-N-[2-[[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523483

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119292381) is N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride is Cc1c(C(C)NC(=O)C2CCCN2)cnn1-c1ccc(F)cc1.Cl.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is MYAXEOVWJVUEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O.ClH/c1-11(21-17(23)16-4-3-9-19-16)15-10-20-22(12(15)2)14-7-5-13(18)6-8-14;/h5-8,10-11,16,19H,3-4,9H2,1-2H3,(H,21,23);1H.
What are the key properties of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 352.84 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119292381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).