(2S)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide

C18H23FN4O — CID 97332137

IUPAC(2S)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CN1CCCC[C@H]1C(N)=O
InChIInChI=1S/C18H23FN4O/c1-12-16(11-22-10-4-3-5-17(22)18(20)24)13(2)23(21-12)15-8-6-14(19)7-9-15/h6-9,17H,3-5,10-11H2,1-2H3,(H2,20,24)/t17-/m0/s1
InChIKeyRCBQZPIUPBYNFA-KRWDZBQOSA-N
MW330.41 g/mol
LogP2.47
Rot. Bonds4

About (2S)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide

(2S)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide (PubChem CID 97332137) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is (2S)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide
PubChem CID97332137
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name(2S)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CN1CCCC[C@H]1C(N)=O
InChIInChI=1S/C18H23FN4O/c1-12-16(11-22-10-4-3-5-17(22)18(20)24)13(2)23(21-12)15-8-6-14(19)7-9-15/h6-9,17H,3-5,10-11H2,1-2H3,(H2,20,24)/t17-/m0/s1
InChIKeyRCBQZPIUPBYNFA-KRWDZBQOSA-N
XLogP2.47
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide (CID 97332137) is (2S)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide is Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide?
The InChIKey is RCBQZPIUPBYNFA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-12-16(11-22-10-4-3-5-17(22)18(20)24)13(2)23(21-12)15-8-6-14(19)7-9-15/h6-9,17H,3-5,10-11H2,1-2H3,(H2,20,24)/t17-/m0/s1.
What are the key properties of (2S)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide?
(2S)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 97332137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).