[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

C18H20N6O2 — CID 70749061

IUPAC[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCC(c4ncn[nH]4)CC3)[nH]n2)c1
InChIInChI=1S/C18H20N6O2/c1-26-14-4-2-3-13(9-14)15-10-16(22-21-15)18(25)24-7-5-12(6-8-24)17-19-11-20-23-17/h2-4,9-12H,5-8H2,1H3,(H,21,22)(H,19,20,23)
InChIKeyHTMMZYBKYSBESZ-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.22
Rot. Bonds4

About [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 70749061) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID70749061
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCC(c4ncn[nH]4)CC3)[nH]n2)c1
InChIInChI=1S/C18H20N6O2/c1-26-14-4-2-3-13(9-14)15-10-16(22-21-15)18(25)24-7-5-12(6-8-24)17-19-11-20-23-17/h2-4,9-12H,5-8H2,1H3,(H,21,22)(H,19,20,23)
InChIKeyHTMMZYBKYSBESZ-UHFFFAOYSA-N
XLogP2.22
TPSA99.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-aminopiperidin-1-yl)-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 66485063
5-[1-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 91920105
ethyl 1-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperidine-4-carboxylate
CID 20918297
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 20906512
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 97115765
(4-chlorophenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910980
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 90636842
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997868
(3-fluorophenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 46969433
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[(3S)-3-(3-methylphenyl)piperidin-1-yl]methanone
CID 97124854
4-ethyl-2-(2-methoxyethyl)-5-[1-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115095
[4-(4-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 20906504

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 70749061) is [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is COc1cccc(-c2cc(C(=O)N3CCC(c4ncn[nH]4)CC3)[nH]n2)c1.
What is the InChIKey of [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is HTMMZYBKYSBESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-26-14-4-2-3-13(9-14)15-10-16(22-21-15)18(25)24-7-5-12(6-8-24)17-19-11-20-23-17/h2-4,9-12H,5-8H2,1H3,(H,21,22)(H,19,20,23).
What are the key properties of [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 352.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 70749061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).