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

C18H23FN4O — CID 97332136

IUPAC(2R)-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-/m1/s1
InChIKeyRCBQZPIUPBYNFA-QGZVFWFLSA-N
MW330.41 g/mol
LogP2.47
Rot. Bonds4

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

(2R)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide (PubChem CID 97332136) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is (2R)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide
PubChem CID97332136
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name(2R)-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-/m1/s1
InChIKeyRCBQZPIUPBYNFA-QGZVFWFLSA-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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Related Compounds

(2S)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide
CID 97332137
N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 46489384
1-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-4-carboxylic acid
CID 119166161
1-[4-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802531
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 111561121
1-[(2-amino-6-fluorophenyl)methyl]piperidine-2-carboxamide
CID 63331060
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119562254
1-[4-(1-aminoethyl)piperidin-1-yl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 119519197
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-thiomorpholin-4-ylethanone
CID 56815935
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119650670
2-[1-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidin-4-yl]acetic acid
CID 119178008
1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 74231498

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide (CID 97332136) is (2R)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-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 (2R)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide?
The InChIKey is RCBQZPIUPBYNFA-QGZVFWFLSA-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-/m1/s1.
What are the key properties of (2R)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide?
(2R)-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 (2R)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 97332136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).