(3R)-1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine

C18H22N6O — CID 99946181

IUPAC(3R)-1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
SMILESCOc1ccccc1-n1cc(CN2CCC[C@@H](c3ncn[nH]3)C2)cn1
InChIInChI=1S/C18H22N6O/c1-25-17-7-3-2-6-16(17)24-11-14(9-21-24)10-23-8-4-5-15(12-23)18-19-13-20-22-18/h2-3,6-7,9,11,13,15H,4-5,8,10,12H2,1H3,(H,19,20,22)/t15-/m1/s1
InChIKeyPXPLDXVQLMQBNS-OAHLLOKOSA-N
MW338.42 g/mol
LogP2.38
Rot. Bonds5

About (3R)-1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine

(3R)-1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 99946181) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is (3R)-1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name(3R)-1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
PubChem CID99946181
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name(3R)-1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
SMILESCOc1ccccc1-n1cc(CN2CCC[C@@H](c3ncn[nH]3)C2)cn1
InChIInChI=1S/C18H22N6O/c1-25-17-7-3-2-6-16(17)24-11-14(9-21-24)10-23-8-4-5-15(12-23)18-19-13-20-22-18/h2-3,6-7,9,11,13,15H,4-5,8,10,12H2,1H3,(H,19,20,22)/t15-/m1/s1
InChIKeyPXPLDXVQLMQBNS-OAHLLOKOSA-N
XLogP2.38
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine with MolForge

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Launch Full Analysis

Related Compounds

1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine
CID 74230143
4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]morpholine
CID 45219237
8-methoxy-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-azabicyclo[3.2.1]octane
CID 156609533
(7S,9aR)-7-ethyl-2-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56856127
2-[(2S)-1-cyclopentyl-4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-2-yl]ethanol
CID 28925095
(7S,9aR)-2-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56856634
1-[(4-phenylmethoxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 77085937
3-cyclopropyl-5-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 74233839
(7S,9aR)-2-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-7,8-dimethyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 56852323
2-cyclohexyl-5-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]pyrimidine
CID 99960847
1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
CID 45216724
1-[(3-cyclopentyloxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 77086173

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of (3R)-1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine (CID 99946181) is (3R)-1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for (3R)-1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for (3R)-1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine is COc1ccccc1-n1cc(CN2CCC[C@@H](c3ncn[nH]3)C2)cn1.
What is the InChIKey of (3R)-1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is PXPLDXVQLMQBNS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N6O/c1-25-17-7-3-2-6-16(17)24-11-14(9-21-24)10-23-8-4-5-15(12-23)18-19-13-20-22-18/h2-3,6-7,9,11,13,15H,4-5,8,10,12H2,1H3,(H,19,20,22)/t15-/m1/s1.
What are the key properties of (3R)-1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine?
(3R)-1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 338.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 99946181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).