1-cycloheptyl-3-N-ethyl-4-methylsulfonylpyrazole-3,5-diamine

C13H24N4O2S — CID 102826017

IUPAC1-cycloheptyl-3-N-ethyl-4-methylsulfonylpyrazole-3,5-diamine
SMILESCCNc1nn(C2CCCCCC2)c(N)c1S(C)(=O)=O
InChIInChI=1S/C13H24N4O2S/c1-3-15-13-11(20(2,18)19)12(14)17(16-13)10-8-6-4-5-7-9-10/h10H,3-9,14H2,1-2H3,(H,15,16)
InChIKeySNMHHXXOEYJDGZ-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.20
Rot. Bonds4

About 1-cycloheptyl-3-N-ethyl-4-methylsulfonylpyrazole-3,5-diamine

1-cycloheptyl-3-N-ethyl-4-methylsulfonylpyrazole-3,5-diamine (PubChem CID 102826017) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-cycloheptyl-3-N-ethyl-4-methylsulfonylpyrazole-3,5-diamine.

Molecular Properties

Compound Name1-cycloheptyl-3-N-ethyl-4-methylsulfonylpyrazole-3,5-diamine
PubChem CID102826017
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name1-cycloheptyl-3-N-ethyl-4-methylsulfonylpyrazole-3,5-diamine
SMILESCCNc1nn(C2CCCCCC2)c(N)c1S(C)(=O)=O
InChIInChI=1S/C13H24N4O2S/c1-3-15-13-11(20(2,18)19)12(14)17(16-13)10-8-6-4-5-7-9-10/h10H,3-9,14H2,1-2H3,(H,15,16)
InChIKeySNMHHXXOEYJDGZ-UHFFFAOYSA-N
XLogP2.20
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclohexyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102825998
1-cyclopentyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine
CID 102825977
5-amino-1-cycloheptyl-3-(ethylamino)pyrazole-4-carbonitrile
CID 102796104
2-[5-amino-3-(butylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol
CID 102826219
3-N-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-4-methylsulfonylpyrazole-3,5-diamine
CID 102825401
3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-propan-2-ylpyrazole-3,5-diamine
CID 102825873
1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine;ethane
CID 91137734
1-[(4-chlorophenyl)methyl]-3-N-ethyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102826260
2-[5-amino-3-(cyclobutylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol
CID 102826212
5-amino-1-cyclopentyl-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile
CID 102796047
3-N-ethyl-1-(6-methylpyrimidin-4-yl)-4-methylsulfonylpyrazole-3,5-diamine
CID 102826168
3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-pyridin-4-ylpyrazole-3,5-diamine
CID 102825845

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-N-ethyl-4-methylsulfonylpyrazole-3,5-diamine?
The IUPAC name of 1-cycloheptyl-3-N-ethyl-4-methylsulfonylpyrazole-3,5-diamine (CID 102826017) is 1-cycloheptyl-3-N-ethyl-4-methylsulfonylpyrazole-3,5-diamine.
What is the SMILES notation for 1-cycloheptyl-3-N-ethyl-4-methylsulfonylpyrazole-3,5-diamine?
The canonical SMILES for 1-cycloheptyl-3-N-ethyl-4-methylsulfonylpyrazole-3,5-diamine is CCNc1nn(C2CCCCCC2)c(N)c1S(C)(=O)=O.
What is the InChIKey of 1-cycloheptyl-3-N-ethyl-4-methylsulfonylpyrazole-3,5-diamine?
The InChIKey is SNMHHXXOEYJDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-3-15-13-11(20(2,18)19)12(14)17(16-13)10-8-6-4-5-7-9-10/h10H,3-9,14H2,1-2H3,(H,15,16).
What are the key properties of 1-cycloheptyl-3-N-ethyl-4-methylsulfonylpyrazole-3,5-diamine?
1-cycloheptyl-3-N-ethyl-4-methylsulfonylpyrazole-3,5-diamine has a molecular weight of 300.43 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-N-ethyl-4-methylsulfonylpyrazole-3,5-diamine is sourced from PubChem (CID 102826017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).