1-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine

C19H26N4 — CID 117210828

IUPAC1-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine
SMILESCc1ccccc1-n1ncc(N2CCC(N)CC2)c1C1CCC1
InChIInChI=1S/C19H26N4/c1-14-5-2-3-8-17(14)23-19(15-6-4-7-15)18(13-21-23)22-11-9-16(20)10-12-22/h2-3,5,8,13,15-16H,4,6-7,9-12,20H2,1H3
InChIKeyPKGGWUGTFLTHHJ-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.38
Rot. Bonds3

About 1-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine

1-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine (PubChem CID 117210828) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine
PubChem CID117210828
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name1-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine
SMILESCc1ccccc1-n1ncc(N2CCC(N)CC2)c1C1CCC1
InChIInChI=1S/C19H26N4/c1-14-5-2-3-8-17(14)23-19(15-6-4-7-15)18(13-21-23)22-11-9-16(20)10-12-22/h2-3,5,8,13,15-16H,4,6-7,9-12,20H2,1H3
InChIKeyPKGGWUGTFLTHHJ-UHFFFAOYSA-N
XLogP3.38
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine?
The IUPAC name of 1-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine (CID 117210828) is 1-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine?
The canonical SMILES for 1-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine is Cc1ccccc1-n1ncc(N2CCC(N)CC2)c1C1CCC1.
What is the InChIKey of 1-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine?
The InChIKey is PKGGWUGTFLTHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-14-5-2-3-8-17(14)23-19(15-6-4-7-15)18(13-21-23)22-11-9-16(20)10-12-22/h2-3,5,8,13,15-16H,4,6-7,9-12,20H2,1H3.
What are the key properties of 1-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine?
1-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine has a molecular weight of 310.44 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine is sourced from PubChem (CID 117210828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).