1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]piperidin-4-amine

C15H19ClN4 — CID 117210766

IUPAC1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]piperidin-4-amine
SMILESCc1c(N2CCC(N)CC2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN4/c1-11-15(19-7-5-13(17)6-8-19)10-18-20(11)14-4-2-3-12(16)9-14/h2-4,9-10,13H,5-8,17H2,1H3
InChIKeyWUYBPFWUZCBMFX-UHFFFAOYSA-N
MW290.80 g/mol
LogP2.76
Rot. Bonds2

About 1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]piperidin-4-amine

1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]piperidin-4-amine (PubChem CID 117210766) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]piperidin-4-amine
PubChem CID117210766
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]piperidin-4-amine
SMILESCc1c(N2CCC(N)CC2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN4/c1-11-15(19-7-5-13(17)6-8-19)10-18-20(11)14-4-2-3-12(16)9-14/h2-4,9-10,13H,5-8,17H2,1H3
InChIKeyWUYBPFWUZCBMFX-UHFFFAOYSA-N
XLogP2.76
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1-phenylpyrazol-4-yl)piperidin-4-amine
CID 117210577
1-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]piperidin-4-amine
CID 117210699
1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperidin-4-amine
CID 117210416
2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82291485
[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 31901098
N-[[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine
CID 82528297
1-(3-chlorophenyl)-5-cyclopropylpyrazol-4-amine
CID 66423941
1-(3-chlorophenyl)-4-ethylpiperidine
CID 178142093
1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]piperidin-4-amine
CID 117210033
1-(4-methyl-1-phenylpyrazol-5-yl)pyrrolidin-3-amine
CID 151862758
1-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine
CID 117210828
[1-(3-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methanamine
CID 66441286

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]piperidin-4-amine?
The IUPAC name of 1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]piperidin-4-amine (CID 117210766) is 1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]piperidin-4-amine is Cc1c(N2CCC(N)CC2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]piperidin-4-amine?
The InChIKey is WUYBPFWUZCBMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-11-15(19-7-5-13(17)6-8-19)10-18-20(11)14-4-2-3-12(16)9-14/h2-4,9-10,13H,5-8,17H2,1H3.
What are the key properties of 1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]piperidin-4-amine?
1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]piperidin-4-amine has a molecular weight of 290.80 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]piperidin-4-amine is sourced from PubChem (CID 117210766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).