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

C11H18FN3 — CID 165499339

IUPAC5-(cycloheptylmethyl)-4-fluoro-1H-pyrazol-3-amine
SMILESNc1n[nH]c(CC2CCCCCC2)c1F
InChIInChI=1S/C11H18FN3/c12-10-9(14-15-11(10)13)7-8-5-3-1-2-4-6-8/h8H,1-7H2,(H3,13,14,15)
InChIKeyVJYBRQXKJHIXFX-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.64
Rot. Bonds2

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

5-(cycloheptylmethyl)-4-fluoro-1H-pyrazol-3-amine (PubChem CID 165499339) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 5-(cycloheptylmethyl)-4-fluoro-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(cycloheptylmethyl)-4-fluoro-1H-pyrazol-3-amine
PubChem CID165499339
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name5-(cycloheptylmethyl)-4-fluoro-1H-pyrazol-3-amine
SMILESNc1n[nH]c(CC2CCCCCC2)c1F
InChIInChI=1S/C11H18FN3/c12-10-9(14-15-11(10)13)7-8-5-3-1-2-4-6-8/h8H,1-7H2,(H3,13,14,15)
InChIKeyVJYBRQXKJHIXFX-UHFFFAOYSA-N
XLogP2.64
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(cyclohexylmethyl)-4-(3,5-difluorophenyl)-1H-pyrazol-3-amine
CID 61496781
5-(2-cyclohexylethyl)-4-methyl-1H-pyrazol-3-amine
CID 43157743
5-(cyclobutylmethyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 103164012
5-(cyclohexylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62829064
5-(cycloheptylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114458043
5-(cyclobutylmethyl)-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine
CID 103163941
5-(cycloheptylmethyl)-1H-pyrazol-3-amine
CID 114458019
4-(3-chlorophenyl)-5-(cyclobutylmethyl)-1H-pyrazol-3-amine
CID 103163943
5-(cycloheptylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 114459367
[5-(cyclohexylmethyl)-1H-pyrazol-4-yl]methanamine
CID 83818386
5-(cyclobutylmethyl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine
CID 103163957
5-(cyclopropylmethyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521154

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylmethyl)-4-fluoro-1H-pyrazol-3-amine?
The IUPAC name of 5-(cycloheptylmethyl)-4-fluoro-1H-pyrazol-3-amine (CID 165499339) is 5-(cycloheptylmethyl)-4-fluoro-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(cycloheptylmethyl)-4-fluoro-1H-pyrazol-3-amine?
The canonical SMILES for 5-(cycloheptylmethyl)-4-fluoro-1H-pyrazol-3-amine is Nc1n[nH]c(CC2CCCCCC2)c1F.
What is the InChIKey of 5-(cycloheptylmethyl)-4-fluoro-1H-pyrazol-3-amine?
The InChIKey is VJYBRQXKJHIXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c12-10-9(14-15-11(10)13)7-8-5-3-1-2-4-6-8/h8H,1-7H2,(H3,13,14,15).
What are the key properties of 5-(cycloheptylmethyl)-4-fluoro-1H-pyrazol-3-amine?
5-(cycloheptylmethyl)-4-fluoro-1H-pyrazol-3-amine has a molecular weight of 211.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylmethyl)-4-fluoro-1H-pyrazol-3-amine is sourced from PubChem (CID 165499339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).