(3S)-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide

C20H24N6O2 — CID 97268219

IUPAC(3S)-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCOc1ccc(-n2nc(C)cc2NC(=O)N2CCC[C@H](c3ccn[nH]3)C2)cc1
InChIInChI=1S/C20H24N6O2/c1-14-12-19(26(24-14)16-5-7-17(28-2)8-6-16)22-20(27)25-11-3-4-15(13-25)18-9-10-21-23-18/h5-10,12,15H,3-4,11,13H2,1-2H3,(H,21,23)(H,22,27)/t15-/m0/s1
InChIKeyRPLSPLFOONTIAE-HNNXBMFYSA-N
MW380.45 g/mol
LogP3.32
Rot. Bonds4

About (3S)-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide

(3S)-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 97268219) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is (3S)-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID97268219
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name(3S)-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCOc1ccc(-n2nc(C)cc2NC(=O)N2CCC[C@H](c3ccn[nH]3)C2)cc1
InChIInChI=1S/C20H24N6O2/c1-14-12-19(26(24-14)16-5-7-17(28-2)8-6-16)22-20(27)25-11-3-4-15(13-25)18-9-10-21-23-18/h5-10,12,15H,3-4,11,13H2,1-2H3,(H,21,23)(H,22,27)/t15-/m0/s1
InChIKeyRPLSPLFOONTIAE-HNNXBMFYSA-N
XLogP3.32
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrazolidin-3-ylpiperidine-1-carboxamide
CID 134086399
N-(2,6-dimethoxy-3-pyridinyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 118763053
4,4-difluoro-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]piperidine-1-carboxamide
CID 72921605
[1-(4-methoxyphenyl)cyclopentyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56701547
(3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94824109
N-[4-methoxy-3-(methylcarbamoyl)phenyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 118762325
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
(3R)-N-(2-methylquinolin-5-yl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 125164615
1-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrrolidin-3-ylurea
CID 156608046
2-(2-methoxyethylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 79281663
(3R)-3-(1H-pyrazol-5-yl)-N-[4-(triazol-1-yl)phenyl]piperidine-1-carboxamide
CID 124562913
N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166207366

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 97268219) is (3S)-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide is COc1ccc(-n2nc(C)cc2NC(=O)N2CCC[C@H](c3ccn[nH]3)C2)cc1.
What is the InChIKey of (3S)-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is RPLSPLFOONTIAE-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-14-12-19(26(24-14)16-5-7-17(28-2)8-6-16)22-20(27)25-11-3-4-15(13-25)18-9-10-21-23-18/h5-10,12,15H,3-4,11,13H2,1-2H3,(H,21,23)(H,22,27)/t15-/m0/s1.
What are the key properties of (3S)-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
(3S)-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97268219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).