5-N-butyl-5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine

C11H22N4 — CID 43553970

IUPAC5-N-butyl-5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine
SMILESCCCCN(CC)c1c(N)c(C)nn1C
InChIInChI=1S/C11H22N4/c1-5-7-8-15(6-2)11-10(12)9(3)13-14(11)4/h5-8,12H2,1-4H3
InChIKeyCZAHXAMBRLEBRC-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.94
Rot. Bonds5

About 5-N-butyl-5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine

5-N-butyl-5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine (PubChem CID 43553970) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-N-butyl-5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-butyl-5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine
PubChem CID43553970
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name5-N-butyl-5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine
SMILESCCCCN(CC)c1c(N)c(C)nn1C
InChIInChI=1S/C11H22N4/c1-5-7-8-15(6-2)11-10(12)9(3)13-14(11)4/h5-8,12H2,1-4H3
InChIKeyCZAHXAMBRLEBRC-UHFFFAOYSA-N
XLogP1.94
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[butyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbothioamide
CID 55241720
N-butyl-N-ethyl-1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43280756
1,3-dimethyl-5-N-pentyl-5-N-propan-2-ylpyrazole-4,5-diamine
CID 55001820
1,3-dimethyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 55011252
5-N,5-N-dibutyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027530
4-(aminomethyl)-N-ethyl-1,3-dimethyl-N-propylpyrazol-5-amine
CID 43268986
5-(dibutylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63751803
5-[butyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbothioamide
CID 63756528
2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]ethanol
CID 43554229
N'-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N,N,N'-triethylpropane-1,3-diamine
CID 102998272
5-N,3-dimethyl-5-N-pentyl-1-propylpyrazole-4,5-diamine
CID 66027038
5-N-(3-methoxypropyl)-5-N,1,3-trimethylpyrazole-4,5-diamine
CID 62985720

Frequently Asked Questions

What is the IUPAC name of 5-N-butyl-5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-butyl-5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine (CID 43553970) is 5-N-butyl-5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-butyl-5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-butyl-5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine is CCCCN(CC)c1c(N)c(C)nn1C.
What is the InChIKey of 5-N-butyl-5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine?
The InChIKey is CZAHXAMBRLEBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-5-7-8-15(6-2)11-10(12)9(3)13-14(11)4/h5-8,12H2,1-4H3.
What are the key properties of 5-N-butyl-5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine?
5-N-butyl-5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butyl-5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 43553970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).