cis-(1R,2S)-N-(3-imidazol-1-ylpropyl)-2-pyrazol-1-ylcyclohexan-1-amine

C15H23N5 — CID 99622517

IUPACcis-(1R,2S)-N-(3-imidazol-1-ylpropyl)-2-pyrazol-1-ylcyclohexan-1-amine
SMILESc1cnn([C@H]2CCCC[C@H]2NCCCn2ccnc2)c1
InChIInChI=1S/C15H23N5/c1-2-6-15(20-11-4-8-18-20)14(5-1)17-7-3-10-19-12-9-16-13-19/h4,8-9,11-15,17H,1-3,5-7,10H2/t14-,15+/m1/s1
InChIKeyCXRHCWFNECHFQD-CABCVRRESA-N
MW273.38 g/mol
LogP2.24
Rot. Bonds6

About cis-(1R,2S)-N-(3-imidazol-1-ylpropyl)-2-pyrazol-1-ylcyclohexan-1-amine

cis-(1R,2S)-N-(3-imidazol-1-ylpropyl)-2-pyrazol-1-ylcyclohexan-1-amine (PubChem CID 99622517) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is cis-(1R,2S)-N-(3-imidazol-1-ylpropyl)-2-pyrazol-1-ylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-N-(3-imidazol-1-ylpropyl)-2-pyrazol-1-ylcyclohexan-1-amine
PubChem CID99622517
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Namecis-(1R,2S)-N-(3-imidazol-1-ylpropyl)-2-pyrazol-1-ylcyclohexan-1-amine
SMILESc1cnn([C@H]2CCCC[C@H]2NCCCn2ccnc2)c1
InChIInChI=1S/C15H23N5/c1-2-6-15(20-11-4-8-18-20)14(5-1)17-7-3-10-19-12-9-16-13-19/h4,8-9,11-15,17H,1-3,5-7,10H2/t14-,15+/m1/s1
InChIKeyCXRHCWFNECHFQD-CABCVRRESA-N
XLogP2.24
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046461
cis-(1S,2R)-2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine
CID 124681069
N-(3-imidazol-1-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43392168
N-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine
CID 115704910
N-(3-imidazol-1-ylpropyl)oxan-4-amine
CID 43608608
3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine
CID 114136924
N-butyl-2-imidazol-1-ylcyclopentan-1-amine
CID 43734458
cis-(1S,2R)-2-ethylsulfanyl-N-(2-imidazol-1-ylethyl)cyclohexan-1-amine
CID 99829754
N-(4-imidazol-1-ylbutyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364522
N-(3-imidazol-1-ylpropyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 61494653
N-(3-imidazol-1-ylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102772810
N-(2-imidazol-1-ylethyl)-2-(4-methylphenyl)sulfonylcyclohexan-1-amine
CID 86790028

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(3-imidazol-1-ylpropyl)-2-pyrazol-1-ylcyclohexan-1-amine?
The IUPAC name of cis-(1R,2S)-N-(3-imidazol-1-ylpropyl)-2-pyrazol-1-ylcyclohexan-1-amine (CID 99622517) is cis-(1R,2S)-N-(3-imidazol-1-ylpropyl)-2-pyrazol-1-ylcyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2S)-N-(3-imidazol-1-ylpropyl)-2-pyrazol-1-ylcyclohexan-1-amine?
The canonical SMILES for cis-(1R,2S)-N-(3-imidazol-1-ylpropyl)-2-pyrazol-1-ylcyclohexan-1-amine is c1cnn([C@H]2CCCC[C@H]2NCCCn2ccnc2)c1.
What is the InChIKey of cis-(1R,2S)-N-(3-imidazol-1-ylpropyl)-2-pyrazol-1-ylcyclohexan-1-amine?
The InChIKey is CXRHCWFNECHFQD-CABCVRRESA-N. The full InChI is InChI=1S/C15H23N5/c1-2-6-15(20-11-4-8-18-20)14(5-1)17-7-3-10-19-12-9-16-13-19/h4,8-9,11-15,17H,1-3,5-7,10H2/t14-,15+/m1/s1.
What are the key properties of cis-(1R,2S)-N-(3-imidazol-1-ylpropyl)-2-pyrazol-1-ylcyclohexan-1-amine?
cis-(1R,2S)-N-(3-imidazol-1-ylpropyl)-2-pyrazol-1-ylcyclohexan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(3-imidazol-1-ylpropyl)-2-pyrazol-1-ylcyclohexan-1-amine is sourced from PubChem (CID 99622517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).