4-(1H-pyrazol-5-ylmethylamino)cyclohexan-1-ol

C10H17N3O — CID 43662327

IUPAC4-(1H-pyrazol-5-ylmethylamino)cyclohexan-1-ol
SMILESOC1CCC(NCc2ccn[nH]2)CC1
InChIInChI=1S/C10H17N3O/c14-10-3-1-8(2-4-10)11-7-9-5-6-12-13-9/h5-6,8,10-11,14H,1-4,7H2,(H,12,13)
InChIKeyXGHKZEOVIPSOGM-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.80
Rot. Bonds3

About 4-(1H-pyrazol-5-ylmethylamino)cyclohexan-1-ol

4-(1H-pyrazol-5-ylmethylamino)cyclohexan-1-ol (PubChem CID 43662327) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(1H-pyrazol-5-ylmethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(1H-pyrazol-5-ylmethylamino)cyclohexan-1-ol
PubChem CID43662327
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-(1H-pyrazol-5-ylmethylamino)cyclohexan-1-ol
SMILESOC1CCC(NCc2ccn[nH]2)CC1
InChIInChI=1S/C10H17N3O/c14-10-3-1-8(2-4-10)11-7-9-5-6-12-13-9/h5-6,8,10-11,14H,1-4,7H2,(H,12,13)
InChIKeyXGHKZEOVIPSOGM-UHFFFAOYSA-N
XLogP0.80
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-5-ylmethylamino)cyclohexan-1-ol?
The IUPAC name of 4-(1H-pyrazol-5-ylmethylamino)cyclohexan-1-ol (CID 43662327) is 4-(1H-pyrazol-5-ylmethylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(1H-pyrazol-5-ylmethylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(1H-pyrazol-5-ylmethylamino)cyclohexan-1-ol is OC1CCC(NCc2ccn[nH]2)CC1.
What is the InChIKey of 4-(1H-pyrazol-5-ylmethylamino)cyclohexan-1-ol?
The InChIKey is XGHKZEOVIPSOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c14-10-3-1-8(2-4-10)11-7-9-5-6-12-13-9/h5-6,8,10-11,14H,1-4,7H2,(H,12,13).
What are the key properties of 4-(1H-pyrazol-5-ylmethylamino)cyclohexan-1-ol?
4-(1H-pyrazol-5-ylmethylamino)cyclohexan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-5-ylmethylamino)cyclohexan-1-ol is sourced from PubChem (CID 43662327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).