N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrazolidin-3-ylpiperidine-1-carboxamide

C20H28N6O2 — CID 134086399

IUPACN-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrazolidin-3-ylpiperidine-1-carboxamide
SMILESCOc1ccc(-n2nc(C)cc2NC(=O)N2CCCC(C3CCNN3)C2)cc1
InChIInChI=1S/C20H28N6O2/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/h5-8,12,15,18,21,23H,3-4,9-11,13H2,1-2H3,(H,22,27)
InChIKeyPLHIIWAHNIWWOX-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.30
Rot. Bonds4

About N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrazolidin-3-ylpiperidine-1-carboxamide

N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrazolidin-3-ylpiperidine-1-carboxamide (PubChem CID 134086399) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrazolidin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrazolidin-3-ylpiperidine-1-carboxamide
PubChem CID134086399
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC NameN-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrazolidin-3-ylpiperidine-1-carboxamide
SMILESCOc1ccc(-n2nc(C)cc2NC(=O)N2CCCC(C3CCNN3)C2)cc1
InChIInChI=1S/C20H28N6O2/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/h5-8,12,15,18,21,23H,3-4,9-11,13H2,1-2H3,(H,22,27)
InChIKeyPLHIIWAHNIWWOX-UHFFFAOYSA-N
XLogP2.30
TPSA83.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 97268219
4,4-difluoro-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]piperidine-1-carboxamide
CID 72921605
1-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrrolidin-3-ylurea
CID 156608046
(3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94824109
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 112819881
(2R)-N-(2,5-dimethylpyrazol-3-yl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 94451985
1-(4-chlorobenzoyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide
CID 112805753
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019
6-methoxy-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 156584796
1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide
CID 112822135
N-(4-methoxyphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 136988474

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrazolidin-3-ylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrazolidin-3-ylpiperidine-1-carboxamide (CID 134086399) is N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrazolidin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrazolidin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrazolidin-3-ylpiperidine-1-carboxamide is COc1ccc(-n2nc(C)cc2NC(=O)N2CCCC(C3CCNN3)C2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrazolidin-3-ylpiperidine-1-carboxamide?
The InChIKey is PLHIIWAHNIWWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/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/h5-8,12,15,18,21,23H,3-4,9-11,13H2,1-2H3,(H,22,27).
What are the key properties of N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrazolidin-3-ylpiperidine-1-carboxamide?
N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrazolidin-3-ylpiperidine-1-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrazolidin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 134086399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).