5-(cycloheptylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine

C18H25N3 — CID 114458043

IUPAC5-(cycloheptylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1cccc(-c2c(N)n[nH]c2CC2CCCCCC2)c1
InChIInChI=1S/C18H25N3/c1-13-7-6-10-15(11-13)17-16(20-21-18(17)19)12-14-8-4-2-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12H2,1H3,(H3,19,20,21)
InChIKeyHMNPDHGVERMJPR-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.48
Rot. Bonds3

About 5-(cycloheptylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine

5-(cycloheptylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 114458043) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 5-(cycloheptylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(cycloheptylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
PubChem CID114458043
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name5-(cycloheptylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1cccc(-c2c(N)n[nH]c2CC2CCCCCC2)c1
InChIInChI=1S/C18H25N3/c1-13-7-6-10-15(11-13)17-16(20-21-18(17)19)12-14-8-4-2-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12H2,1H3,(H3,19,20,21)
InChIKeyHMNPDHGVERMJPR-UHFFFAOYSA-N
XLogP4.48
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(cyclohexylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62829064
4-(3-chlorophenyl)-5-(cyclobutylmethyl)-1H-pyrazol-3-amine
CID 103163943
5-(cyclohexylmethyl)-4-(3,5-difluorophenyl)-1H-pyrazol-3-amine
CID 61496781
5-(cyclobutylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 103167445
5-(cyclobutylmethyl)-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine
CID 103163941
5-hexyl-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114752939
5-(2-ethoxyethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62830117
4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62829235
5-(cyclobutylmethyl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine
CID 103163957
5-(cyclopropylmethyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521154
5-(cycloheptylmethyl)-4-fluoro-1H-pyrazol-3-amine
CID 165499339
5-(2-cyclopentylethyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine
CID 63525732

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(cycloheptylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine (CID 114458043) is 5-(cycloheptylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(cycloheptylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(cycloheptylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine is Cc1cccc(-c2c(N)n[nH]c2CC2CCCCCC2)c1.
What is the InChIKey of 5-(cycloheptylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is HMNPDHGVERMJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-13-7-6-10-15(11-13)17-16(20-21-18(17)19)12-14-8-4-2-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12H2,1H3,(H3,19,20,21).
What are the key properties of 5-(cycloheptylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine?
5-(cycloheptylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 283.42 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 114458043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).