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

C16H21N3O — CID 63932266

IUPAC1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1(CNCc2cnn(-c3ccccc3)c2)CCCC1
InChIInChI=1S/C16H21N3O/c20-16(8-4-5-9-16)13-17-10-14-11-18-19(12-14)15-6-2-1-3-7-15/h1-3,6-7,11-12,17,20H,4-5,8-10,13H2
InChIKeyZJUNVTQDYMTRJI-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.27
Rot. Bonds5

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

1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 63932266) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
PubChem CID63932266
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1(CNCc2cnn(-c3ccccc3)c2)CCCC1
InChIInChI=1S/C16H21N3O/c20-16(8-4-5-9-16)13-17-10-14-11-18-19(12-14)15-6-2-1-3-7-15/h1-3,6-7,11-12,17,20H,4-5,8-10,13H2
InChIKeyZJUNVTQDYMTRJI-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 110936520
1-[[(1-benzylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 63933915
[1-[(1-phenylpyrazol-4-yl)methylamino]cyclopentyl]methanol
CID 62523609
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
1-(aminomethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 119699538
1-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 106936957
2-(1-hydroxycyclopentyl)-N-(1-phenylpyrazol-4-yl)acetamide
CID 111432531
1-[[(4-phenylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621532
3-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270639
N-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
CID 54896941
N',N'-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 16773449
1-[[(1-phenyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 65108941

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol (CID 63932266) is 1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol is OC1(CNCc2cnn(-c3ccccc3)c2)CCCC1.
What is the InChIKey of 1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is ZJUNVTQDYMTRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-16(8-4-5-9-16)13-17-10-14-11-18-19(12-14)15-6-2-1-3-7-15/h1-3,6-7,11-12,17,20H,4-5,8-10,13H2.
What are the key properties of 1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol?
1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 63932266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).