1-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]piperidin-4-amine

C18H26N4 — CID 117210699

IUPAC1-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]piperidin-4-amine
SMILESCc1cccc(-n2ncc(N3CCC(N)CC3)c2C(C)C)c1
InChIInChI=1S/C18H26N4/c1-13(2)18-17(21-9-7-15(19)8-10-21)12-20-22(18)16-6-4-5-14(3)11-16/h4-6,11-13,15H,7-10,19H2,1-3H3
InChIKeyUFPBMQGPSIAIPI-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.23
Rot. Bonds3

About 1-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]piperidin-4-amine

1-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]piperidin-4-amine (PubChem CID 117210699) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]piperidin-4-amine
PubChem CID117210699
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name1-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]piperidin-4-amine
SMILESCc1cccc(-n2ncc(N3CCC(N)CC3)c2C(C)C)c1
InChIInChI=1S/C18H26N4/c1-13(2)18-17(21-9-7-15(19)8-10-21)12-20-22(18)16-6-4-5-14(3)11-16/h4-6,11-13,15H,7-10,19H2,1-3H3
InChIKeyUFPBMQGPSIAIPI-UHFFFAOYSA-N
XLogP3.23
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]piperidin-4-amine?
The IUPAC name of 1-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]piperidin-4-amine (CID 117210699) is 1-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]piperidin-4-amine is Cc1cccc(-n2ncc(N3CCC(N)CC3)c2C(C)C)c1.
What is the InChIKey of 1-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]piperidin-4-amine?
The InChIKey is UFPBMQGPSIAIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-13(2)18-17(21-9-7-15(19)8-10-21)12-20-22(18)16-6-4-5-14(3)11-16/h4-6,11-13,15H,7-10,19H2,1-3H3.
What are the key properties of 1-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]piperidin-4-amine?
1-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]piperidin-4-amine has a molecular weight of 298.43 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]piperidin-4-amine is sourced from PubChem (CID 117210699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).