5-cycloheptyl-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine

C18H25N3 — CID 63524691

IUPAC5-cycloheptyl-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2c(N)n[nH]c2C2CCCCCC2)cc1C
InChIInChI=1S/C18H25N3/c1-12-9-10-15(11-13(12)2)16-17(20-21-18(16)19)14-7-5-3-4-6-8-14/h9-11,14H,3-8H2,1-2H3,(H3,19,20,21)
InChIKeyIULOKXBYUOOWAR-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.71
Rot. Bonds2

About 5-cycloheptyl-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine

5-cycloheptyl-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine (PubChem CID 63524691) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 5-cycloheptyl-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-cycloheptyl-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine
PubChem CID63524691
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name5-cycloheptyl-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2c(N)n[nH]c2C2CCCCCC2)cc1C
InChIInChI=1S/C18H25N3/c1-12-9-10-15(11-13(12)2)16-17(20-21-18(16)19)14-7-5-3-4-6-8-14/h9-11,14H,3-8H2,1-2H3,(H3,19,20,21)
InChIKeyIULOKXBYUOOWAR-UHFFFAOYSA-N
XLogP4.71
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cycloheptyl-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-cycloheptyl-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine (CID 63524691) is 5-cycloheptyl-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-cycloheptyl-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-cycloheptyl-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine is Cc1ccc(-c2c(N)n[nH]c2C2CCCCCC2)cc1C.
What is the InChIKey of 5-cycloheptyl-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine?
The InChIKey is IULOKXBYUOOWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-12-9-10-15(11-13(12)2)16-17(20-21-18(16)19)14-7-5-3-4-6-8-14/h9-11,14H,3-8H2,1-2H3,(H3,19,20,21).
What are the key properties of 5-cycloheptyl-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine?
5-cycloheptyl-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine has a molecular weight of 283.42 g/mol, XLogP of 4.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptyl-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 63524691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).