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

C15H20N4 — CID 117210939

IUPAC1-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine
SMILESCc1ccccc1-n1cc(N2CCC(N)CC2)cn1
InChIInChI=1S/C15H20N4/c1-12-4-2-3-5-15(12)19-11-14(10-17-19)18-8-6-13(16)7-9-18/h2-5,10-11,13H,6-9,16H2,1H3
InChIKeyNJCXKBRRBLANMP-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.11
Rot. Bonds2

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

1-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine (PubChem CID 117210939) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine
PubChem CID117210939
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine
SMILESCc1ccccc1-n1cc(N2CCC(N)CC2)cn1
InChIInChI=1S/C15H20N4/c1-12-4-2-3-5-15(12)19-11-14(10-17-19)18-8-6-13(16)7-9-18/h2-5,10-11,13H,6-9,16H2,1H3
InChIKeyNJCXKBRRBLANMP-UHFFFAOYSA-N
XLogP2.11
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine
CID 117210828
4-methyl-1-(2-methylphenyl)pyrazole
CID 12902538
[(3R)-3-aminopiperidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 124593909
1-(5-methyl-1-phenylpyrazol-4-yl)piperidin-4-amine
CID 117210577
1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]piperidin-4-amine
CID 117209870
(4-aminopiperidin-1-yl)-[1-(2-methylphenyl)triazol-4-yl]methanone
CID 66485055
1-tert-butyl-4-[1-(2-methylphenyl)pyrazol-4-yl]piperidine
CID 176809540
1-[1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 75469055
1-(2-methylphenyl)-4-pyrrolidin-3-ylpyrazole
CID 105484973
2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine
CID 82282392
1-[5-(2-methylphenyl)pyrimidin-2-yl]piperidin-4-amine
CID 117224077
1-(4-methyl-1-phenylpyrazol-5-yl)pyrrolidin-3-amine
CID 151862758

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine?
The IUPAC name of 1-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine (CID 117210939) is 1-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine is Cc1ccccc1-n1cc(N2CCC(N)CC2)cn1.
What is the InChIKey of 1-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine?
The InChIKey is NJCXKBRRBLANMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12-4-2-3-5-15(12)19-11-14(10-17-19)18-8-6-13(16)7-9-18/h2-5,10-11,13H,6-9,16H2,1H3.
What are the key properties of 1-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine?
1-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine has a molecular weight of 256.35 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine is sourced from PubChem (CID 117210939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).