3-(cycloheptylmethyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine

C17H24N4 — CID 114458050

IUPAC3-(cycloheptylmethyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
SMILESCn1nc(CC2CCCCCC2)c(-c2cccnc2)c1N
InChIInChI=1S/C17H24N4/c1-21-17(18)16(14-9-6-10-19-12-14)15(20-21)11-13-7-4-2-3-5-8-13/h6,9-10,12-13H,2-5,7-8,11,18H2,1H3
InChIKeyYOOLYIJDSKIYSJ-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.58
Rot. Bonds3

About 3-(cycloheptylmethyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine

3-(cycloheptylmethyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine (PubChem CID 114458050) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 3-(cycloheptylmethyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(cycloheptylmethyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
PubChem CID114458050
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name3-(cycloheptylmethyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
SMILESCn1nc(CC2CCCCCC2)c(-c2cccnc2)c1N
InChIInChI=1S/C17H24N4/c1-21-17(18)16(14-9-6-10-19-12-14)15(20-21)11-13-7-4-2-3-5-8-13/h6,9-10,12-13H,2-5,7-8,11,18H2,1H3
InChIKeyYOOLYIJDSKIYSJ-UHFFFAOYSA-N
XLogP3.58
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-ethoxycyclobutyl)methyl]-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 103164049
3-(cyclobutylmethyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 103163980
3-tert-butyl-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 58958602
1-methyl-3-(2-methylbutan-2-yl)-4-pyridin-3-ylpyrazol-5-amine
CID 80522986
3-(cyclohexylmethyl)-1-methyl-4-propan-2-ylpyrazol-5-amine
CID 113490620
5-(cyclobutylmethyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 103167465
3-(2-cyclohexylethyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 80521961
3-(4-bromophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 80523124
5-N-(cyclohexylmethyl)-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361808
1-methyl-3-(2-methyl-3-pyridinyl)-4-pyridin-3-ylpyrazol-5-amine
CID 80522938
1-cycloheptyl-3-pyridin-3-ylpyrazol-4-amine
CID 83223048
1-methyl-4-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-amine
CID 80521128

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylmethyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The IUPAC name of 3-(cycloheptylmethyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine (CID 114458050) is 3-(cycloheptylmethyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine.
What is the SMILES notation for 3-(cycloheptylmethyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The canonical SMILES for 3-(cycloheptylmethyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine is Cn1nc(CC2CCCCCC2)c(-c2cccnc2)c1N.
What is the InChIKey of 3-(cycloheptylmethyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The InChIKey is YOOLYIJDSKIYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-21-17(18)16(14-9-6-10-19-12-14)15(20-21)11-13-7-4-2-3-5-8-13/h6,9-10,12-13H,2-5,7-8,11,18H2,1H3.
What are the key properties of 3-(cycloheptylmethyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
3-(cycloheptylmethyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine has a molecular weight of 284.41 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylmethyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine is sourced from PubChem (CID 114458050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).