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

C17H31N3 — CID 45225311

IUPAC1-(2-methylbutyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
SMILESCCC(C)CN1CCCC(c2[nH]ncc2CC(C)C)C1
InChIInChI=1S/C17H31N3/c1-5-14(4)11-20-8-6-7-15(12-20)17-16(9-13(2)3)10-18-19-17/h10,13-15H,5-9,11-12H2,1-4H3,(H,18,19)
InChIKeyPDKBWNGWHZWMNM-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.83
Rot. Bonds6

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

1-(2-methylbutyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 45225311) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-(2-methylbutyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-(2-methylbutyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
PubChem CID45225311
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-(2-methylbutyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
SMILESCCC(C)CN1CCCC(c2[nH]ncc2CC(C)C)C1
InChIInChI=1S/C17H31N3/c1-5-14(4)11-20-8-6-7-15(12-20)17-16(9-13(2)3)10-18-19-17/h10,13-15H,5-9,11-12H2,1-4H3,(H,18,19)
InChIKeyPDKBWNGWHZWMNM-UHFFFAOYSA-N
XLogP3.83
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2R)-2-phenylpropyl]piperidine
CID 98575835
3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-(1H-pyrazol-5-ylmethyl)piperidine
CID 126466148
1-[(2,6-difluorophenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
CID 45219683
1-[(2,4-difluorophenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
CID 45223704
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
CID 29257242
1-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-4-methylpentane-1,2-dione
CID 95214259
(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidine
CID 29256573
4-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 56758097
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56755087
(3S)-1-[(2R)-2-phenylpropyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 98760298
(3R)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 42479587
1-[5-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1-methylpyrrol-3-yl]ethanone
CID 70781287

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-(2-methylbutyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine (CID 45225311) is 1-(2-methylbutyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-(2-methylbutyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-(2-methylbutyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine is CCC(C)CN1CCCC(c2[nH]ncc2CC(C)C)C1.
What is the InChIKey of 1-(2-methylbutyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is PDKBWNGWHZWMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-14(4)11-20-8-6-7-15(12-20)17-16(9-13(2)3)10-18-19-17/h10,13-15H,5-9,11-12H2,1-4H3,(H,18,19).
What are the key properties of 1-(2-methylbutyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine?
1-(2-methylbutyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 277.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 45225311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).