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

C16H25N5 — CID 126466148

IUPAC3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-(1H-pyrazol-5-ylmethyl)piperidine
SMILESCC(C)Cc1cn[nH]c1C1CCCN(Cc2ccn[nH]2)C1
InChIInChI=1S/C16H25N5/c1-12(2)8-14-9-18-20-16(14)13-4-3-7-21(10-13)11-15-5-6-17-19-15/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyHZUJDBKPZFUEAE-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.71
Rot. Bonds5

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

3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-(1H-pyrazol-5-ylmethyl)piperidine (PubChem CID 126466148) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-(1H-pyrazol-5-ylmethyl)piperidine.

Molecular Properties

Compound Name3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-(1H-pyrazol-5-ylmethyl)piperidine
PubChem CID126466148
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-(1H-pyrazol-5-ylmethyl)piperidine
SMILESCC(C)Cc1cn[nH]c1C1CCCN(Cc2ccn[nH]2)C1
InChIInChI=1S/C16H25N5/c1-12(2)8-14-9-18-20-16(14)13-4-3-7-21(10-13)11-15-5-6-17-19-15/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyHZUJDBKPZFUEAE-UHFFFAOYSA-N
XLogP2.71
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-(2-methylbutyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
CID 45225311
(3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2R)-2-phenylpropyl]piperidine
CID 98575835
3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidine
CID 45248311
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
CID 29257242
(3R)-N-(4-propan-2-ylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine
CID 42194213
4-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 56758097
4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
CID 129132920
2-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]oxyethanol
CID 115882853
1-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-4-methylpentane-1,2-dione
CID 95214259
4-[[5-[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
CID 154740983

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-(1H-pyrazol-5-ylmethyl)piperidine?
The IUPAC name of 3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-(1H-pyrazol-5-ylmethyl)piperidine (CID 126466148) is 3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-(1H-pyrazol-5-ylmethyl)piperidine.
What is the SMILES notation for 3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-(1H-pyrazol-5-ylmethyl)piperidine?
The canonical SMILES for 3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-(1H-pyrazol-5-ylmethyl)piperidine is CC(C)Cc1cn[nH]c1C1CCCN(Cc2ccn[nH]2)C1.
What is the InChIKey of 3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-(1H-pyrazol-5-ylmethyl)piperidine?
The InChIKey is HZUJDBKPZFUEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-12(2)8-14-9-18-20-16(14)13-4-3-7-21(10-13)11-15-5-6-17-19-15/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-(1H-pyrazol-5-ylmethyl)piperidine?
3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-(1H-pyrazol-5-ylmethyl)piperidine has a molecular weight of 287.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-(1H-pyrazol-5-ylmethyl)piperidine is sourced from PubChem (CID 126466148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).