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

C19H22N6O2 — CID 70784414

IUPAC[1-(2-methoxyphenyl)pyrazol-4-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccccc1-n1cc(C(=O)N2CCC(c3nncn3C)CC2)cn1
InChIInChI=1S/C19H22N6O2/c1-23-13-20-22-18(23)14-7-9-24(10-8-14)19(26)15-11-21-25(12-15)16-5-3-4-6-17(16)27-2/h3-6,11-14H,7-10H2,1-2H3
InChIKeyUTDUHWDWZQOYGK-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.03
Rot. Bonds4

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

[1-(2-methoxyphenyl)pyrazol-4-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 70784414) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)pyrazol-4-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)pyrazol-4-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID70784414
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name[1-(2-methoxyphenyl)pyrazol-4-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccccc1-n1cc(C(=O)N2CCC(c3nncn3C)CC2)cn1
InChIInChI=1S/C19H22N6O2/c1-23-13-20-22-18(23)14-7-9-24(10-8-14)19(26)15-11-21-25(12-15)16-5-3-4-6-17(16)27-2/h3-6,11-14H,7-10H2,1-2H3
InChIKeyUTDUHWDWZQOYGK-UHFFFAOYSA-N
XLogP2.03
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(2-methoxyphenyl)pyrazol-4-yl]-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 70786049
[1-(2-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 131948490
[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97144723
[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 97134508
[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 95885542
[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97280069
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 166614439
[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 154568541
[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 96575104
[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97119728
[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 97153764
[1-(2-methoxyphenyl)pyrazol-4-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone
CID 70765301

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyphenyl)pyrazol-4-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(2-methoxyphenyl)pyrazol-4-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 70784414) is [1-(2-methoxyphenyl)pyrazol-4-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-methoxyphenyl)pyrazol-4-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-methoxyphenyl)pyrazol-4-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is COc1ccccc1-n1cc(C(=O)N2CCC(c3nncn3C)CC2)cn1.
What is the InChIKey of [1-(2-methoxyphenyl)pyrazol-4-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is UTDUHWDWZQOYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-23-13-20-22-18(23)14-7-9-24(10-8-14)19(26)15-11-21-25(12-15)16-5-3-4-6-17(16)27-2/h3-6,11-14H,7-10H2,1-2H3.
What are the key properties of [1-(2-methoxyphenyl)pyrazol-4-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
[1-(2-methoxyphenyl)pyrazol-4-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 366.43 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyphenyl)pyrazol-4-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 70784414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).