5-N-cycloheptyl-1-methyl-3-propylpyrazole-4,5-diamine

C14H26N4 — CID 66017100

IUPAC5-N-cycloheptyl-1-methyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NC2CCCCCC2)c1N
InChIInChI=1S/C14H26N4/c1-3-8-12-13(15)14(18(2)17-12)16-11-9-6-4-5-7-10-11/h11,16H,3-10,15H2,1-2H3
InChIKeyAOKOUFDNXRWPOP-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.09
Rot. Bonds4

About 5-N-cycloheptyl-1-methyl-3-propylpyrazole-4,5-diamine

5-N-cycloheptyl-1-methyl-3-propylpyrazole-4,5-diamine (PubChem CID 66017100) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-N-cycloheptyl-1-methyl-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-cycloheptyl-1-methyl-3-propylpyrazole-4,5-diamine
PubChem CID66017100
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name5-N-cycloheptyl-1-methyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NC2CCCCCC2)c1N
InChIInChI=1S/C14H26N4/c1-3-8-12-13(15)14(18(2)17-12)16-11-9-6-4-5-7-10-11/h11,16H,3-10,15H2,1-2H3
InChIKeyAOKOUFDNXRWPOP-UHFFFAOYSA-N
XLogP3.09
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-N-(3-methylcyclohexyl)-3-propylpyrazole-4,5-diamine
CID 66019813
1-methyl-5-N-(oxan-3-yl)-3-propylpyrazole-4,5-diamine
CID 66017732
5-N-(2-cyclohexyloxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017735
5-N-(1,1-dioxothiolan-3-yl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66018055
5-N-cycloheptyl-1,3-dimethylpyrazole-4,5-diamine
CID 43554231
1-methyl-3-propyl-5-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4,5-diamine
CID 79353358
5-N-(4,4-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66014444
3-ethyl-1-methyl-5-N-(1-methylpiperidin-3-yl)pyrazole-4,5-diamine
CID 66014594
5-cyclohexyloxy-1-methyl-3-propylpyrazol-4-amine
CID 66018723
N-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66017295
N-(4-amino-1-methyl-3-propylpyrazol-5-yl)formamide;hydrochloride
CID 174670115
5-N-(cyclohexylmethyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66015985

Frequently Asked Questions

What is the IUPAC name of 5-N-cycloheptyl-1-methyl-3-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-cycloheptyl-1-methyl-3-propylpyrazole-4,5-diamine (CID 66017100) is 5-N-cycloheptyl-1-methyl-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-cycloheptyl-1-methyl-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-cycloheptyl-1-methyl-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(NC2CCCCCC2)c1N.
What is the InChIKey of 5-N-cycloheptyl-1-methyl-3-propylpyrazole-4,5-diamine?
The InChIKey is AOKOUFDNXRWPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-3-8-12-13(15)14(18(2)17-12)16-11-9-6-4-5-7-10-11/h11,16H,3-10,15H2,1-2H3.
What are the key properties of 5-N-cycloheptyl-1-methyl-3-propylpyrazole-4,5-diamine?
5-N-cycloheptyl-1-methyl-3-propylpyrazole-4,5-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cycloheptyl-1-methyl-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66017100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).