N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide

C19H25FN4O — CID 136523212

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
SMILESCc1nn(C)cc1C(C)NC(=O)N1CCCC1Cc1ccc(F)cc1
InChIInChI=1S/C19H25FN4O/c1-13(18-12-23(3)22-14(18)2)21-19(25)24-10-4-5-17(24)11-15-6-8-16(20)9-7-15/h6-9,12-13,17H,4-5,10-11H2,1-3H3,(H,21,25)
InChIKeyLTKMBAXPEVGUPK-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.35
Rot. Bonds4

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 136523212) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID136523212
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
SMILESCc1nn(C)cc1C(C)NC(=O)N1CCCC1Cc1ccc(F)cc1
InChIInChI=1S/C19H25FN4O/c1-13(18-12-23(3)22-14(18)2)21-19(25)24-10-4-5-17(24)11-15-6-8-16(20)9-7-15/h6-9,12-13,17H,4-5,10-11H2,1-3H3,(H,21,25)
InChIKeyLTKMBAXPEVGUPK-UHFFFAOYSA-N
XLogP3.35
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-di(pyrazol-1-yl)phenyl]-3-[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]urea
CID 44455846
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
1-Cycloheptyl-1-[[3-(1-methylpyrazol-3-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 11797565
1-[3,5-di(pyrazol-1-yl)phenyl]-3-[3-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 44455847
N-{4-[1-(3-methylbutyl)-1H-pyrazol-4-yl]phenyl}-1,3-dihydro-2H-isoindole-2-carboxamide
CID 57509943
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528
N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide
CID 118524339
US10343992, Example 234
CID 122590732
N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 123583803
6-cyclopropyl-3-(2-oxo-4-phenylimidazolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 151259440
1-(1,5-dimethyl-1H-pyrazol-4-yl)-N-{[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}ethanamine
CID 16188374

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide (CID 136523212) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide is Cc1nn(C)cc1C(C)NC(=O)N1CCCC1Cc1ccc(F)cc1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is LTKMBAXPEVGUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-13(18-12-23(3)22-14(18)2)21-19(25)24-10-4-5-17(24)11-15-6-8-16(20)9-7-15/h6-9,12-13,17H,4-5,10-11H2,1-3H3,(H,21,25).
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 344.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 136523212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).