(3R)-1-(2,2-dimethylpropyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine

C20H29N3 — CID 42276653

IUPAC(3R)-1-(2,2-dimethylpropyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
SMILESCc1cccc(-c2cn[nH]c2[C@@H]2CCCN(CC(C)(C)C)C2)c1
InChIInChI=1S/C20H29N3/c1-15-7-5-8-16(11-15)18-12-21-22-19(18)17-9-6-10-23(13-17)14-20(2,3)4/h5,7-8,11-12,17H,6,9-10,13-14H2,1-4H3,(H,21,22)/t17-/m1/s1
InChIKeyQSMHNWVVRZTMSL-QGZVFWFLSA-N
MW311.47 g/mol
LogP4.61
Rot. Bonds3

About (3R)-1-(2,2-dimethylpropyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine

(3R)-1-(2,2-dimethylpropyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 42276653) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is (3R)-1-(2,2-dimethylpropyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name(3R)-1-(2,2-dimethylpropyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID42276653
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC Name(3R)-1-(2,2-dimethylpropyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
SMILESCc1cccc(-c2cn[nH]c2[C@@H]2CCCN(CC(C)(C)C)C2)c1
InChIInChI=1S/C20H29N3/c1-15-7-5-8-16(11-15)18-12-21-22-19(18)17-9-6-10-23(13-17)14-20(2,3)4/h5,7-8,11-12,17H,6,9-10,13-14H2,1-4H3,(H,21,22)/t17-/m1/s1
InChIKeyQSMHNWVVRZTMSL-QGZVFWFLSA-N
XLogP4.61
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

(3S)-1-(2,2-dimethylpropyl)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26346642
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 28730565
(3S)-1-[(5-methylfuran-2-yl)methyl]-3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 42431199
2-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]acetic acid
CID 56741273
(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidine
CID 29256573
(3S)-1-[(2,6-dimethoxyphenyl)methyl]-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 29087992
(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methylphenyl)methyl]piperidine
CID 42479334
3-[[3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine
CID 45180592
4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidine
CID 95202871
2-hydroxy-2-methyl-1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 56746262
(3S)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 42482466
(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42273036

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,2-dimethylpropyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of (3R)-1-(2,2-dimethylpropyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine (CID 42276653) is (3R)-1-(2,2-dimethylpropyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for (3R)-1-(2,2-dimethylpropyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for (3R)-1-(2,2-dimethylpropyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine is Cc1cccc(-c2cn[nH]c2[C@@H]2CCCN(CC(C)(C)C)C2)c1.
What is the InChIKey of (3R)-1-(2,2-dimethylpropyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is QSMHNWVVRZTMSL-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N3/c1-15-7-5-8-16(11-15)18-12-21-22-19(18)17-9-6-10-23(13-17)14-20(2,3)4/h5,7-8,11-12,17H,6,9-10,13-14H2,1-4H3,(H,21,22)/t17-/m1/s1.
What are the key properties of (3R)-1-(2,2-dimethylpropyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine?
(3R)-1-(2,2-dimethylpropyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 311.47 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,2-dimethylpropyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 42276653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).