cis-(1S,3R)-3-(4-aminopyrazol-1-yl)cyclohexan-1-ol

C9H15N3O — CID 118466984

IUPACcis-(1S,3R)-3-(4-aminopyrazol-1-yl)cyclohexan-1-ol
SMILESNc1cnn([C@@H]2CCC[C@H](O)C2)c1
InChIInChI=1S/C9H15N3O/c10-7-5-11-12(6-7)8-2-1-3-9(13)4-8/h5-6,8-9,13H,1-4,10H2/t8-,9+/m1/s1
InChIKeyYYRGVLRUQOTMDP-BDAKNGLRSA-N
MW181.24 g/mol
LogP0.94
Rot. Bonds1

About cis-(1S,3R)-3-(4-aminopyrazol-1-yl)cyclohexan-1-ol

cis-(1S,3R)-3-(4-aminopyrazol-1-yl)cyclohexan-1-ol (PubChem CID 118466984) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is cis-(1S,3R)-3-(4-aminopyrazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,3R)-3-(4-aminopyrazol-1-yl)cyclohexan-1-ol
PubChem CID118466984
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Namecis-(1S,3R)-3-(4-aminopyrazol-1-yl)cyclohexan-1-ol
SMILESNc1cnn([C@@H]2CCC[C@H](O)C2)c1
InChIInChI=1S/C9H15N3O/c10-7-5-11-12(6-7)8-2-1-3-9(13)4-8/h5-6,8-9,13H,1-4,10H2/t8-,9+/m1/s1
InChIKeyYYRGVLRUQOTMDP-BDAKNGLRSA-N
XLogP0.94
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(4-aminopyrazol-1-yl)cyclohexan-1-ol?
The IUPAC name of cis-(1S,3R)-3-(4-aminopyrazol-1-yl)cyclohexan-1-ol (CID 118466984) is cis-(1S,3R)-3-(4-aminopyrazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,3R)-3-(4-aminopyrazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for cis-(1S,3R)-3-(4-aminopyrazol-1-yl)cyclohexan-1-ol is Nc1cnn([C@@H]2CCC[C@H](O)C2)c1.
What is the InChIKey of cis-(1S,3R)-3-(4-aminopyrazol-1-yl)cyclohexan-1-ol?
The InChIKey is YYRGVLRUQOTMDP-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H15N3O/c10-7-5-11-12(6-7)8-2-1-3-9(13)4-8/h5-6,8-9,13H,1-4,10H2/t8-,9+/m1/s1.
What are the key properties of cis-(1S,3R)-3-(4-aminopyrazol-1-yl)cyclohexan-1-ol?
cis-(1S,3R)-3-(4-aminopyrazol-1-yl)cyclohexan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(4-aminopyrazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 118466984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).