(2R)-N-[1-methyl-3-[(2S)-oxolan-2-yl]pyrazol-5-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

C17H24N6O2 — CID 124890525

IUPAC(2R)-N-[1-methyl-3-[(2S)-oxolan-2-yl]pyrazol-5-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESCn1nc([C@@H]2CCCO2)cc1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1
InChIInChI=1S/C17H24N6O2/c1-22-16(9-13(21-22)15-6-4-8-25-15)20-17(24)23-7-3-2-5-14(23)12-10-18-19-11-12/h9-11,14-15H,2-8H2,1H3,(H,18,19)(H,20,24)/t14-,15+/m1/s1
InChIKeyVYWARDINPWPPFM-CABCVRRESA-N
MW344.42 g/mol
LogP2.75
Rot. Bonds3

About (2R)-N-[1-methyl-3-[(2S)-oxolan-2-yl]pyrazol-5-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

(2R)-N-[1-methyl-3-[(2S)-oxolan-2-yl]pyrazol-5-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 124890525) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is (2R)-N-[1-methyl-3-[(2S)-oxolan-2-yl]pyrazol-5-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-methyl-3-[(2S)-oxolan-2-yl]pyrazol-5-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
PubChem CID124890525
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name(2R)-N-[1-methyl-3-[(2S)-oxolan-2-yl]pyrazol-5-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESCn1nc([C@@H]2CCCO2)cc1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1
InChIInChI=1S/C17H24N6O2/c1-22-16(9-13(21-22)15-6-4-8-25-15)20-17(24)23-7-3-2-5-14(23)12-10-18-19-11-12/h9-11,14-15H,2-8H2,1H3,(H,18,19)(H,20,24)/t14-,15+/m1/s1
InChIKeyVYWARDINPWPPFM-CABCVRRESA-N
XLogP2.75
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-tert-butylpyrazol-3-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 154754412
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CID 86784707
3-(3,4-difluorophenyl)-2-methyl-N-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]pyrrolidine-1-carboxamide
CID 167778291
N-[3-(propanoylamino)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75521565
N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 86789916
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CID 99698277
3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one
CID 119888402
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CID 129446287
N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75499708
(2R)-N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 98573367
N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 84597437
(2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-methyl-3-[(2S)-oxolan-2-yl]pyrazol-5-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-[1-methyl-3-[(2S)-oxolan-2-yl]pyrazol-5-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (CID 124890525) is (2R)-N-[1-methyl-3-[(2S)-oxolan-2-yl]pyrazol-5-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[1-methyl-3-[(2S)-oxolan-2-yl]pyrazol-5-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-[1-methyl-3-[(2S)-oxolan-2-yl]pyrazol-5-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is Cn1nc([C@@H]2CCCO2)cc1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1.
What is the InChIKey of (2R)-N-[1-methyl-3-[(2S)-oxolan-2-yl]pyrazol-5-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is VYWARDINPWPPFM-CABCVRRESA-N. The full InChI is InChI=1S/C17H24N6O2/c1-22-16(9-13(21-22)15-6-4-8-25-15)20-17(24)23-7-3-2-5-14(23)12-10-18-19-11-12/h9-11,14-15H,2-8H2,1H3,(H,18,19)(H,20,24)/t14-,15+/m1/s1.
What are the key properties of (2R)-N-[1-methyl-3-[(2S)-oxolan-2-yl]pyrazol-5-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
(2R)-N-[1-methyl-3-[(2S)-oxolan-2-yl]pyrazol-5-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-methyl-3-[(2S)-oxolan-2-yl]pyrazol-5-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 124890525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).