1-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperidin-3-ol

C16H22N4O — CID 61434843

IUPAC1-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperidin-3-ol
SMILESCc1nn(-c2ccccc2)c(N2CCCC(O)C2)c1CN
InChIInChI=1S/C16H22N4O/c1-12-15(10-17)16(19-9-5-8-14(21)11-19)20(18-12)13-6-3-2-4-7-13/h2-4,6-7,14,21H,5,8-11,17H2,1H3
InChIKeyQXMDUDBXVUIIHM-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.60
Rot. Bonds3

About 1-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperidin-3-ol

1-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperidin-3-ol (PubChem CID 61434843) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperidin-3-ol
PubChem CID61434843
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperidin-3-ol
SMILESCc1nn(-c2ccccc2)c(N2CCCC(O)C2)c1CN
InChIInChI=1S/C16H22N4O/c1-12-15(10-17)16(19-9-5-8-14(21)11-19)20(18-12)13-6-3-2-4-7-13/h2-4,6-7,14,21H,5,8-11,17H2,1H3
InChIKeyQXMDUDBXVUIIHM-UHFFFAOYSA-N
XLogP1.60
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperidin-3-ol?
The IUPAC name of 1-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperidin-3-ol (CID 61434843) is 1-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperidin-3-ol.
What is the SMILES notation for 1-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperidin-3-ol?
The canonical SMILES for 1-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperidin-3-ol is Cc1nn(-c2ccccc2)c(N2CCCC(O)C2)c1CN.
What is the InChIKey of 1-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperidin-3-ol?
The InChIKey is QXMDUDBXVUIIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-15(10-17)16(19-9-5-8-14(21)11-19)20(18-12)13-6-3-2-4-7-13/h2-4,6-7,14,21H,5,8-11,17H2,1H3.
What are the key properties of 1-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperidin-3-ol?
1-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperidin-3-ol has a molecular weight of 286.38 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperidin-3-ol is sourced from PubChem (CID 61434843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).