5-ethenyl-N-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine

C9H13N3 — CID 129060135

IUPAC5-ethenyl-N-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine
SMILESC=Cc1[nH]nc(NC)c1/C=C\C
InChIInChI=1S/C9H13N3/c1-4-6-7-8(5-2)11-12-9(7)10-3/h4-6H,2H2,1,3H3,(H2,10,11,12)/b6-4-
InChIKeyVAMLWXUXZAVJRS-XQRVVYSFSA-N
MW163.22 g/mol
LogP2.13
Rot. Bonds3

About 5-ethenyl-N-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine

5-ethenyl-N-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine (PubChem CID 129060135) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-ethenyl-N-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-ethenyl-N-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine
PubChem CID129060135
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name5-ethenyl-N-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine
SMILESC=Cc1[nH]nc(NC)c1/C=C\C
InChIInChI=1S/C9H13N3/c1-4-6-7-8(5-2)11-12-9(7)10-3/h4-6H,2H2,1,3H3,(H2,10,11,12)/b6-4-
InChIKeyVAMLWXUXZAVJRS-XQRVVYSFSA-N
XLogP2.13
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,4,5-trimethyl-1H-pyrazol-3-amine
CID 23559284
4-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrazol-3-amine
CID 89088651
N,5-dimethyl-4-(4-methylidenehex-2-en-2-yl)-1H-pyrazol-3-amine
CID 91593618
(4E)-3-methyl-6,7-dihydro-2H-pyrazolo[3,4-b]azocin-8-amine
CID 123219478
5-cyclohexa-1,3-dien-1-yl-N-methyl-1H-pyrazol-3-amine
CID 123747149
5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine
CID 129048961
[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]hydrazine
CID 129060126
5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine
CID 129060165
4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrazol-3-amine
CID 129071759
N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine
CID 134224296
1,3-Dimethyl-6,7-dihydropyrazolo[5,4-b]pyridine
CID 136948381
5-methyl-3-prop-1-en-2-yl-6,7-dihydro-2H-pyrazolo[3,4-b]pyridine
CID 137199179

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-N-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-ethenyl-N-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine (CID 129060135) is 5-ethenyl-N-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-ethenyl-N-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-ethenyl-N-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine is C=Cc1[nH]nc(NC)c1/C=C\C.
What is the InChIKey of 5-ethenyl-N-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine?
The InChIKey is VAMLWXUXZAVJRS-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H13N3/c1-4-6-7-8(5-2)11-12-9(7)10-3/h4-6H,2H2,1,3H3,(H2,10,11,12)/b6-4-.
What are the key properties of 5-ethenyl-N-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine?
5-ethenyl-N-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine has a molecular weight of 163.22 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-N-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 129060135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).