N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide

C20H27FN4O — CID 96577979

IUPACN-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCCC2)n(C)n1
InChIInChI=1S/C20H27FN4O/c1-3-6-17-13-18(24(2)23-17)20(26)22-14-19(25-11-4-5-12-25)15-7-9-16(21)10-8-15/h7-10,13,19H,3-6,11-12,14H2,1-2H3,(H,22,26)/t19-/m1/s1
InChIKeyGTQPHASIJVCHOZ-LJQANCHMSA-N
MW358.46 g/mol
LogP3.08
Rot. Bonds7

About N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide

N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide (PubChem CID 96577979) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide
PubChem CID96577979
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC NameN-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCCC2)n(C)n1
InChIInChI=1S/C20H27FN4O/c1-3-6-17-13-18(24(2)23-17)20(26)22-14-19(25-11-4-5-12-25)15-7-9-16(21)10-8-15/h7-10,13,19H,3-6,11-12,14H2,1-2H3,(H,22,26)/t19-/m1/s1
InChIKeyGTQPHASIJVCHOZ-LJQANCHMSA-N
XLogP3.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 96577978
3-ethyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide
CID 110279591
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyridine-4-carboxamide
CID 74238178
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 118782996
1-(difluoromethyl)-N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrazole-3-carboxamide
CID 125169507
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-propylsulfanylacetamide
CID 118783187
1-(difluoromethyl)-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyrazole-3-carboxamide
CID 46957347
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylpyridine-4-carboxamide
CID 118794898
1-(4-fluorophenyl)-3,5-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 46512755
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 84506470
N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 125177894

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide?
The IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide (CID 96577979) is N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide is CCCc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCCC2)n(C)n1.
What is the InChIKey of N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide?
The InChIKey is GTQPHASIJVCHOZ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H27FN4O/c1-3-6-17-13-18(24(2)23-17)20(26)22-14-19(25-11-4-5-12-25)15-7-9-16(21)10-8-15/h7-10,13,19H,3-6,11-12,14H2,1-2H3,(H,22,26)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide?
N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 96577979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).