1-[3-(5-methylpyrazol-1-yl)propyl]-4-(pyrazol-1-ylmethyl)piperidine

C16H25N5 — CID 31134485

IUPAC1-[3-(5-methylpyrazol-1-yl)propyl]-4-(pyrazol-1-ylmethyl)piperidine
SMILESCc1ccnn1CCCN1CCC(Cn2cccn2)CC1
InChIInChI=1S/C16H25N5/c1-15-4-8-18-21(15)11-3-9-19-12-5-16(6-13-19)14-20-10-2-7-17-20/h2,4,7-8,10,16H,3,5-6,9,11-14H2,1H3
InChIKeyITHKVRRACNAGMO-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.19
Rot. Bonds6

About 1-[3-(5-methylpyrazol-1-yl)propyl]-4-(pyrazol-1-ylmethyl)piperidine

1-[3-(5-methylpyrazol-1-yl)propyl]-4-(pyrazol-1-ylmethyl)piperidine (PubChem CID 31134485) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[3-(5-methylpyrazol-1-yl)propyl]-4-(pyrazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-[3-(5-methylpyrazol-1-yl)propyl]-4-(pyrazol-1-ylmethyl)piperidine
PubChem CID31134485
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name1-[3-(5-methylpyrazol-1-yl)propyl]-4-(pyrazol-1-ylmethyl)piperidine
SMILESCc1ccnn1CCCN1CCC(Cn2cccn2)CC1
InChIInChI=1S/C16H25N5/c1-15-4-8-18-21(15)11-3-9-19-12-5-16(6-13-19)14-20-10-2-7-17-20/h2,4,7-8,10,16H,3,5-6,9,11-14H2,1H3
InChIKeyITHKVRRACNAGMO-UHFFFAOYSA-N
XLogP2.19
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methylpyrazol-1-yl)propyl]-4-(pyrazol-1-ylmethyl)piperidine?
The IUPAC name of 1-[3-(5-methylpyrazol-1-yl)propyl]-4-(pyrazol-1-ylmethyl)piperidine (CID 31134485) is 1-[3-(5-methylpyrazol-1-yl)propyl]-4-(pyrazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-[3-(5-methylpyrazol-1-yl)propyl]-4-(pyrazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-[3-(5-methylpyrazol-1-yl)propyl]-4-(pyrazol-1-ylmethyl)piperidine is Cc1ccnn1CCCN1CCC(Cn2cccn2)CC1.
What is the InChIKey of 1-[3-(5-methylpyrazol-1-yl)propyl]-4-(pyrazol-1-ylmethyl)piperidine?
The InChIKey is ITHKVRRACNAGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-15-4-8-18-21(15)11-3-9-19-12-5-16(6-13-19)14-20-10-2-7-17-20/h2,4,7-8,10,16H,3,5-6,9,11-14H2,1H3.
What are the key properties of 1-[3-(5-methylpyrazol-1-yl)propyl]-4-(pyrazol-1-ylmethyl)piperidine?
1-[3-(5-methylpyrazol-1-yl)propyl]-4-(pyrazol-1-ylmethyl)piperidine has a molecular weight of 287.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methylpyrazol-1-yl)propyl]-4-(pyrazol-1-ylmethyl)piperidine is sourced from PubChem (CID 31134485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).