2-[4-(aminomethyl)pyrazol-1-yl]cyclohexan-1-ol

C10H17N3O — CID 62714631

IUPAC2-[4-(aminomethyl)pyrazol-1-yl]cyclohexan-1-ol
SMILESNCc1cnn(C2CCCCC2O)c1
InChIInChI=1S/C10H17N3O/c11-5-8-6-12-13(7-8)9-3-1-2-4-10(9)14/h6-7,9-10,14H,1-5,11H2
InChIKeyPTTPOZVWZZEZQR-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.82
Rot. Bonds2

About 2-[4-(aminomethyl)pyrazol-1-yl]cyclohexan-1-ol

2-[4-(aminomethyl)pyrazol-1-yl]cyclohexan-1-ol (PubChem CID 62714631) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-[4-(aminomethyl)pyrazol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-(aminomethyl)pyrazol-1-yl]cyclohexan-1-ol
PubChem CID62714631
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-[4-(aminomethyl)pyrazol-1-yl]cyclohexan-1-ol
SMILESNCc1cnn(C2CCCCC2O)c1
InChIInChI=1S/C10H17N3O/c11-5-8-6-12-13(7-8)9-3-1-2-4-10(9)14/h6-7,9-10,14H,1-5,11H2
InChIKeyPTTPOZVWZZEZQR-UHFFFAOYSA-N
XLogP0.82
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)pyrazol-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-(aminomethyl)pyrazol-1-yl]cyclohexan-1-ol (CID 62714631) is 2-[4-(aminomethyl)pyrazol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-(aminomethyl)pyrazol-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-(aminomethyl)pyrazol-1-yl]cyclohexan-1-ol is NCc1cnn(C2CCCCC2O)c1.
What is the InChIKey of 2-[4-(aminomethyl)pyrazol-1-yl]cyclohexan-1-ol?
The InChIKey is PTTPOZVWZZEZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c11-5-8-6-12-13(7-8)9-3-1-2-4-10(9)14/h6-7,9-10,14H,1-5,11H2.
What are the key properties of 2-[4-(aminomethyl)pyrazol-1-yl]cyclohexan-1-ol?
2-[4-(aminomethyl)pyrazol-1-yl]cyclohexan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)pyrazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 62714631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).