N-methyl-4-(1H-pyrazol-5-yloxy)cyclohexan-1-amine

C10H17N3O — CID 126655425

IUPACN-methyl-4-(1H-pyrazol-5-yloxy)cyclohexan-1-amine
SMILESCNC1CCC(Oc2ccn[nH]2)CC1
InChIInChI=1S/C10H17N3O/c1-11-8-2-4-9(5-3-8)14-10-6-7-12-13-10/h6-9,11H,2-5H2,1H3,(H,12,13)
InChIKeyPWUAMTIBSSLCFX-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.32
Rot. Bonds3

About N-methyl-4-(1H-pyrazol-5-yloxy)cyclohexan-1-amine

N-methyl-4-(1H-pyrazol-5-yloxy)cyclohexan-1-amine (PubChem CID 126655425) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-methyl-4-(1H-pyrazol-5-yloxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(1H-pyrazol-5-yloxy)cyclohexan-1-amine
PubChem CID126655425
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-methyl-4-(1H-pyrazol-5-yloxy)cyclohexan-1-amine
SMILESCNC1CCC(Oc2ccn[nH]2)CC1
InChIInChI=1S/C10H17N3O/c1-11-8-2-4-9(5-3-8)14-10-6-7-12-13-10/h6-9,11H,2-5H2,1H3,(H,12,13)
InChIKeyPWUAMTIBSSLCFX-UHFFFAOYSA-N
XLogP1.32
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1H-pyrazol-5-yloxy)cyclohexan-1-amine?
The IUPAC name of N-methyl-4-(1H-pyrazol-5-yloxy)cyclohexan-1-amine (CID 126655425) is N-methyl-4-(1H-pyrazol-5-yloxy)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-(1H-pyrazol-5-yloxy)cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-(1H-pyrazol-5-yloxy)cyclohexan-1-amine is CNC1CCC(Oc2ccn[nH]2)CC1.
What is the InChIKey of N-methyl-4-(1H-pyrazol-5-yloxy)cyclohexan-1-amine?
The InChIKey is PWUAMTIBSSLCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-11-8-2-4-9(5-3-8)14-10-6-7-12-13-10/h6-9,11H,2-5H2,1H3,(H,12,13).
What are the key properties of N-methyl-4-(1H-pyrazol-5-yloxy)cyclohexan-1-amine?
N-methyl-4-(1H-pyrazol-5-yloxy)cyclohexan-1-amine has a molecular weight of 195.27 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1H-pyrazol-5-yloxy)cyclohexan-1-amine is sourced from PubChem (CID 126655425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).