5-ethylpyrazole-1,3-diamine

C5H10N4 — CID 123239006

IUPAC5-ethylpyrazole-1,3-diamine
SMILESCCc1cc(N)nn1N
InChIInChI=1S/C5H10N4/c1-2-4-3-5(6)8-9(4)7/h3H,2,7H2,1H3,(H2,6,8)
InChIKeyCBOXHQKGBHAKKG-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.26
Rot. Bonds1

About 5-ethylpyrazole-1,3-diamine

5-ethylpyrazole-1,3-diamine (PubChem CID 123239006) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 5-ethylpyrazole-1,3-diamine.

Molecular Properties

Compound Name5-ethylpyrazole-1,3-diamine
PubChem CID123239006
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name5-ethylpyrazole-1,3-diamine
SMILESCCc1cc(N)nn1N
InChIInChI=1S/C5H10N4/c1-2-4-3-5(6)8-9(4)7/h3H,2,7H2,1H3,(H2,6,8)
InChIKeyCBOXHQKGBHAKKG-UHFFFAOYSA-N
XLogP-0.26
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 81253459
2-(3-amino-5-ethylpyrazol-1-yl)cyclopentan-1-ol
CID 62712670
5-(ethylaminomethyl)-1-methylpyrazol-3-amine
CID 117217177
5-(2-aminoethyl)-1-methylpyrazol-3-amine
CID 83864147
1-ethyl-5-(ethylsulfonylmethyl)pyrazol-3-amine
CID 117217258
1-methyl-5-(methylsulfanylmethyl)pyrazol-3-amine
CID 117217176
5-(aminomethyl)-1-propan-2-ylpyrazol-3-amine
CID 83863940
1-propylpyrazole-3,5-diamine
CID 61265522
1-ethyl-5-iodopyrazol-3-amine
CID 154881729
5-(2-aminoethyl)-1-propan-2-ylpyrazol-3-amine
CID 83863937
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
5-(methylsulfonylmethyl)-1-propan-2-ylpyrazol-3-amine
CID 117217260

Frequently Asked Questions

What is the IUPAC name of 5-ethylpyrazole-1,3-diamine?
The IUPAC name of 5-ethylpyrazole-1,3-diamine (CID 123239006) is 5-ethylpyrazole-1,3-diamine.
What is the SMILES notation for 5-ethylpyrazole-1,3-diamine?
The canonical SMILES for 5-ethylpyrazole-1,3-diamine is CCc1cc(N)nn1N.
What is the InChIKey of 5-ethylpyrazole-1,3-diamine?
The InChIKey is CBOXHQKGBHAKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-2-4-3-5(6)8-9(4)7/h3H,2,7H2,1H3,(H2,6,8).
What are the key properties of 5-ethylpyrazole-1,3-diamine?
5-ethylpyrazole-1,3-diamine has a molecular weight of 126.16 g/mol, XLogP of -0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylpyrazole-1,3-diamine is sourced from PubChem (CID 123239006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).