3-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol

C16H21N3O — CID 103270639

IUPAC3-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNCc2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C16H21N3O/c20-16-7-6-13(8-16)9-17-10-14-11-18-19(12-14)15-4-2-1-3-5-15/h1-5,11-13,16-17,20H,6-10H2
InChIKeyOWRCDZDRTSANKH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.12
Rot. Bonds5

About 3-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol

3-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 103270639) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
PubChem CID103270639
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNCc2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C16H21N3O/c20-16-7-6-13(8-16)9-17-10-14-11-18-19(12-14)15-4-2-1-3-5-15/h1-5,11-13,16-17,20H,6-10H2
InChIKeyOWRCDZDRTSANKH-UHFFFAOYSA-N
XLogP2.12
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 99792880
1-(oxan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 60976579
1-(4-methylmorpholin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 78942793
N-[(3-hydroxycyclohexyl)methyl]-2-oxo-2-(1-phenylpyrazol-4-yl)acetamide
CID 111459881
2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine
CID 83009169
1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 63932266
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 66008582
4-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 106126263
2-[(1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60790945
N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 167772668
N-[(3-hydroxycyclohexyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 111460494
N-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
CID 54896941

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol (CID 103270639) is 3-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol is OC1CCC(CNCc2cnn(-c3ccccc3)c2)C1.
What is the InChIKey of 3-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is OWRCDZDRTSANKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-16-7-6-13(8-16)9-17-10-14-11-18-19(12-14)15-4-2-1-3-5-15/h1-5,11-13,16-17,20H,6-10H2.
What are the key properties of 3-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol?
3-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103270639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).