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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Related Compounds

1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]piperidin-4-amine
CID 117210766
1-(5-methyl-1-phenylpyrazol-4-yl)piperidin-4-amine
CID 117210577
N'-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]propane-1,3-diamine
CID 117210731
1-[5-cyclobutyl-1-(3-methylphenyl)pyrazol-4-yl]piperazine
CID 117210663
1-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]ethanamine
CID 43209034
1-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
CID 117224089
4-(fluoromethyl)-1-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]piperidine
CID 138707917
1-(4-methyl-1-phenylpyrazol-5-yl)pyrrolidin-3-amine
CID 151862758
[1-(3-methylphenyl)piperidin-4-yl]methanol
CID 117027926
[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
CID 66436584
2-[4-(4-aminopiperidin-1-yl)-5-cyclopropylpyrazol-1-yl]phenol
CID 117210810
1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperidin-4-amine
CID 117210416

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).