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

C12H19N3O — CID 106936957

IUPAC1-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
SMILESC=Cn1cc(CNCC2(O)CCCC2)cn1
InChIInChI=1S/C12H19N3O/c1-2-15-9-11(8-14-15)7-13-10-12(16)5-3-4-6-12/h2,8-9,13,16H,1,3-7,10H2
InChIKeyPMLXNQLRHSDXDS-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.38
Rot. Bonds5

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

1-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 106936957) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
PubChem CID106936957
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
SMILESC=Cn1cc(CNCC2(O)CCCC2)cn1
InChIInChI=1S/C12H19N3O/c1-2-15-9-11(8-14-15)7-13-10-12(16)5-3-4-6-12/h2,8-9,13,16H,1,3-7,10H2
InChIKeyPMLXNQLRHSDXDS-UHFFFAOYSA-N
XLogP1.38
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1-benzylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 63933915
1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 63932266
N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine
CID 106937175
N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 106935175
4-methyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 65115613
N-[(1-ethenylpyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine
CID 106935124
5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 107302920
N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylpentan-3-amine
CID 106936949
[1-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol
CID 106936803
2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
CID 106936989
3-cyclopentyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-1-amine
CID 107094620
N-[(1-ethenylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
CID 106937339

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol (CID 106936957) is 1-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol is C=Cn1cc(CNCC2(O)CCCC2)cn1.
What is the InChIKey of 1-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is PMLXNQLRHSDXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-15-9-11(8-14-15)7-13-10-12(16)5-3-4-6-12/h2,8-9,13,16H,1,3-7,10H2.
What are the key properties of 1-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol?
1-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106936957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).