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

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Related Compounds

2-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)ethanamine
CID 20983039
2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine
CID 20983040
[3-methyl-5-(3-methylpyrrolidin-1-yl)-1-phenylpyrazol-4-yl]methanol
CID 61226185
N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]ethanamine
CID 43280293
4-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperazin-2-one
CID 28965251
1-(1-phenyltetrazol-5-yl)piperidin-3-ol
CID 18074907
[3-methyl-1-phenyl-5-(1,4-thiazepan-4-yl)pyrazol-4-yl]methanol
CID 61419727
1-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperidin-3-ol
CID 61434543
[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-3-yl]methanol
CID 43590482
[3-methyl-5-(3-methylmorpholin-4-yl)-1-phenylpyrazol-4-yl]methanamine
CID 43542446
1-phenylpyrrolidin-3-ol
CID 11171152
1-(4-amino-3-methylphenyl)piperidin-3-ol
CID 43502899

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).