1-[(ethenylamino)methyl]-4-methylpyrazol-5-amine

C7H12N4 — CID 163791989

IUPAC1-[(ethenylamino)methyl]-4-methylpyrazol-5-amine
SMILESC=CNCn1ncc(C)c1N
InChIInChI=1S/C7H12N4/c1-3-9-5-11-7(8)6(2)4-10-11/h3-4,9H,1,5,8H2,2H3
InChIKeyMXOUBPWTHPIGIM-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.46
Rot. Bonds3

About 1-[(ethenylamino)methyl]-4-methylpyrazol-5-amine

1-[(ethenylamino)methyl]-4-methylpyrazol-5-amine (PubChem CID 163791989) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-[(ethenylamino)methyl]-4-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-[(ethenylamino)methyl]-4-methylpyrazol-5-amine
PubChem CID163791989
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name1-[(ethenylamino)methyl]-4-methylpyrazol-5-amine
SMILESC=CNCn1ncc(C)c1N
InChIInChI=1S/C7H12N4/c1-3-9-5-11-7(8)6(2)4-10-11/h3-4,9H,1,5,8H2,2H3
InChIKeyMXOUBPWTHPIGIM-UHFFFAOYSA-N
XLogP0.46
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-1-methyl-1H-pyrazole-4-carbonitrile
CID 219740
1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4-thiol
CID 135408740
1,4-Dimethyl-1H-pyrazol-5-amine
CID 12847948
1-Butyl-4-Methyl-1H-Pyrazol-5-Amine
CID 21455559
1-Ethyl-4-methyl-1H-pyrazol-5-amine
CID 22456658
1,4-dimethyl-1H-pyrazol-5-amine hydrochloride
CID 23330507
4-methyl-1-(propan-2-yl)-1H-pyrazol-5-amine
CID 29060602
4-methyl-1-(propan-2-yl)-1H-pyrazol-3-amine
CID 45602180
2-(3-amino-4-methyl-1H-pyrazol-1-yl)acetonitrile
CID 45602183
N,1-dimethyl-1H-pyrazol-5-amine
CID 54594771
1,4-dimethyl-1H-pyrazol-3-amine hydrochloride
CID 69704255
1-(tert-butyl)-4-methyl-1H-pyrazol-5-amine
CID 72211777

Frequently Asked Questions

What is the IUPAC name of 1-[(ethenylamino)methyl]-4-methylpyrazol-5-amine?
The IUPAC name of 1-[(ethenylamino)methyl]-4-methylpyrazol-5-amine (CID 163791989) is 1-[(ethenylamino)methyl]-4-methylpyrazol-5-amine.
What is the SMILES notation for 1-[(ethenylamino)methyl]-4-methylpyrazol-5-amine?
The canonical SMILES for 1-[(ethenylamino)methyl]-4-methylpyrazol-5-amine is C=CNCn1ncc(C)c1N.
What is the InChIKey of 1-[(ethenylamino)methyl]-4-methylpyrazol-5-amine?
The InChIKey is MXOUBPWTHPIGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-3-9-5-11-7(8)6(2)4-10-11/h3-4,9H,1,5,8H2,2H3.
What are the key properties of 1-[(ethenylamino)methyl]-4-methylpyrazol-5-amine?
1-[(ethenylamino)methyl]-4-methylpyrazol-5-amine has a molecular weight of 152.20 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(ethenylamino)methyl]-4-methylpyrazol-5-amine is sourced from PubChem (CID 163791989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).