(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidine

C19H27N3 — CID 29256573

IUPAC(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidine
SMILESCc1ccc(-c2cn[nH]c2[C@H]2CCCN(CC(C)C)C2)cc1
InChIInChI=1S/C19H27N3/c1-14(2)12-22-10-4-5-17(13-22)19-18(11-20-21-19)16-8-6-15(3)7-9-16/h6-9,11,14,17H,4-5,10,12-13H2,1-3H3,(H,20,21)/t17-/m0/s1
InChIKeyVGXUDYQFQLLKJY-KRWDZBQOSA-N
MW297.45 g/mol
LogP4.22
Rot. Bonds4

About (3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidine

(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidine (PubChem CID 29256573) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is (3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidine
PubChem CID29256573
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC Name(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidine
SMILESCc1ccc(-c2cn[nH]c2[C@H]2CCCN(CC(C)C)C2)cc1
InChIInChI=1S/C19H27N3/c1-14(2)12-22-10-4-5-17(13-22)19-18(11-20-21-19)16-8-6-15(3)7-9-16/h6-9,11,14,17H,4-5,10,12-13H2,1-3H3,(H,20,21)/t17-/m0/s1
InChIKeyVGXUDYQFQLLKJY-KRWDZBQOSA-N
XLogP4.22
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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
2-hydroxy-2-methyl-1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 56746262
3-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine
CID 70747126
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56748606
2-amino-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 95196951
N-[5-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide
CID 45172705
[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 95211783
2-[2-[[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyridine
CID 29208732
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56741838
(3R)-1-(2,2-dimethylpropyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 42276653
N-[3-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]acetamide
CID 70731856

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidine?
The IUPAC name of (3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidine (CID 29256573) is (3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidine.
What is the SMILES notation for (3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidine?
The canonical SMILES for (3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidine is Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(CC(C)C)C2)cc1.
What is the InChIKey of (3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidine?
The InChIKey is VGXUDYQFQLLKJY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N3/c1-14(2)12-22-10-4-5-17(13-22)19-18(11-20-21-19)16-8-6-15(3)7-9-16/h6-9,11,14,17H,4-5,10,12-13H2,1-3H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidine?
(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidine has a molecular weight of 297.45 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidine is sourced from PubChem (CID 29256573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).