1-[(2R)-2-methylbutyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine

C20H29N3 — CID 42164961

IUPAC1-[(2R)-2-methylbutyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine
SMILESCC[C@@H](C)CN1CCC(c2[nH]ncc2-c2ccccc2C)CC1
InChIInChI=1S/C20H29N3/c1-4-15(2)14-23-11-9-17(10-12-23)20-19(13-21-22-20)18-8-6-5-7-16(18)3/h5-8,13,15,17H,4,9-12,14H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeySDPCTACVTSEQKS-OAHLLOKOSA-N
MW311.47 g/mol
LogP4.61
Rot. Bonds5

About 1-[(2R)-2-methylbutyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine

1-[(2R)-2-methylbutyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 42164961) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-[(2R)-2-methylbutyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-[(2R)-2-methylbutyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID42164961
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC Name1-[(2R)-2-methylbutyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine
SMILESCC[C@@H](C)CN1CCC(c2[nH]ncc2-c2ccccc2C)CC1
InChIInChI=1S/C20H29N3/c1-4-15(2)14-23-11-9-17(10-12-23)20-19(13-21-22-20)18-8-6-5-7-16(18)3/h5-8,13,15,17H,4,9-12,14H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeySDPCTACVTSEQKS-OAHLLOKOSA-N
XLogP4.61
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 42165171
2-(methoxymethyl)-5-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrimidine
CID 70705801
3-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine
CID 70736621
1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine
CID 70765763
N-[2-[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 56741070
[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
CID 56744089
4-(4-naphthalen-2-yl-1H-pyrazol-5-yl)-1-propylpiperidine
CID 26342057
1-(2-methylbutyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
CID 45225311
(2S)-2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95197316
(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidine
CID 29256573
2-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]acetic acid
CID 56741273
1-[(3S)-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 42431808

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methylbutyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-[(2R)-2-methylbutyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine (CID 42164961) is 1-[(2R)-2-methylbutyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-[(2R)-2-methylbutyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-[(2R)-2-methylbutyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine is CC[C@@H](C)CN1CCC(c2[nH]ncc2-c2ccccc2C)CC1.
What is the InChIKey of 1-[(2R)-2-methylbutyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is SDPCTACVTSEQKS-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H29N3/c1-4-15(2)14-23-11-9-17(10-12-23)20-19(13-21-22-20)18-8-6-5-7-16(18)3/h5-8,13,15,17H,4,9-12,14H2,1-3H3,(H,21,22)/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-methylbutyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine?
1-[(2R)-2-methylbutyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 311.47 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methylbutyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 42164961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).