(Z)-3-imino-1-(1-methylpyrazol-4-yl)prop-1-en-1-amine

C7H10N4 — CID 90288447

IUPAC(Z)-3-imino-1-(1-methylpyrazol-4-yl)prop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)c1cnn(C)c1
InChIInChI=1S/C7H10N4/c1-11-5-6(4-10-11)7(9)2-3-8/h2-5,8H,9H2,1H3/b7-2-,8-3+
InChIKeyWCSIILUQMAWQOO-LHRDSYOJSA-N
MW150.19 g/mol
LogP0.37
Rot. Bonds2

About (Z)-3-imino-1-(1-methylpyrazol-4-yl)prop-1-en-1-amine

(Z)-3-imino-1-(1-methylpyrazol-4-yl)prop-1-en-1-amine (PubChem CID 90288447) has the molecular formula C7H10N4 and a molecular weight of 150.19 g/mol. Its IUPAC name is (Z)-3-imino-1-(1-methylpyrazol-4-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-1-(1-methylpyrazol-4-yl)prop-1-en-1-amine
PubChem CID90288447
Molecular FormulaC7H10N4
Molecular Weight150.19 g/mol
Exact Mass150.09
IUPAC Name(Z)-3-imino-1-(1-methylpyrazol-4-yl)prop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)c1cnn(C)c1
InChIInChI=1S/C7H10N4/c1-11-5-6(4-10-11)7(9)2-3-8/h2-5,8H,9H2,1H3/b7-2-,8-3+
InChIKeyWCSIILUQMAWQOO-LHRDSYOJSA-N
XLogP0.37
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-1-(1-methylpyrazol-4-yl)prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-1-(1-methylpyrazol-4-yl)prop-1-en-1-amine (CID 90288447) is (Z)-3-imino-1-(1-methylpyrazol-4-yl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-1-(1-methylpyrazol-4-yl)prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-1-(1-methylpyrazol-4-yl)prop-1-en-1-amine is [H]/N=C/C=C(\N)c1cnn(C)c1.
What is the InChIKey of (Z)-3-imino-1-(1-methylpyrazol-4-yl)prop-1-en-1-amine?
The InChIKey is WCSIILUQMAWQOO-LHRDSYOJSA-N. The full InChI is InChI=1S/C7H10N4/c1-11-5-6(4-10-11)7(9)2-3-8/h2-5,8H,9H2,1H3/b7-2-,8-3+.
What are the key properties of (Z)-3-imino-1-(1-methylpyrazol-4-yl)prop-1-en-1-amine?
(Z)-3-imino-1-(1-methylpyrazol-4-yl)prop-1-en-1-amine has a molecular weight of 150.19 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-1-(1-methylpyrazol-4-yl)prop-1-en-1-amine is sourced from PubChem (CID 90288447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).