(Z)-4-imino-N-[(1-methylpyrazol-3-yl)methyl]but-2-enamide

C9H12N4O — CID 154681983

IUPAC(Z)-4-imino-N-[(1-methylpyrazol-3-yl)methyl]but-2-enamide
SMILES[H]/N=C/C=C\C(=O)NCc1ccn(C)n1
InChIInChI=1S/C9H12N4O/c1-13-6-4-8(12-13)7-11-9(14)3-2-5-10/h2-6,10H,7H2,1H3,(H,11,14)/b3-2-,10-5+
InChIKeyFWOVNXFEBMMHCE-IPIUBCRSSA-N
MW192.22 g/mol
LogP0.24
Rot. Bonds4

About (Z)-4-imino-N-[(1-methylpyrazol-3-yl)methyl]but-2-enamide

(Z)-4-imino-N-[(1-methylpyrazol-3-yl)methyl]but-2-enamide (PubChem CID 154681983) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is (Z)-4-imino-N-[(1-methylpyrazol-3-yl)methyl]but-2-enamide.

Molecular Properties

Compound Name(Z)-4-imino-N-[(1-methylpyrazol-3-yl)methyl]but-2-enamide
PubChem CID154681983
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name(Z)-4-imino-N-[(1-methylpyrazol-3-yl)methyl]but-2-enamide
SMILES[H]/N=C/C=C\C(=O)NCc1ccn(C)n1
InChIInChI=1S/C9H12N4O/c1-13-6-4-8(12-13)7-11-9(14)3-2-5-10/h2-6,10H,7H2,1H3,(H,11,14)/b3-2-,10-5+
InChIKeyFWOVNXFEBMMHCE-IPIUBCRSSA-N
XLogP0.24
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-N-[(1-methylpyrazol-3-yl)methyl]but-2-enamide?
The IUPAC name of (Z)-4-imino-N-[(1-methylpyrazol-3-yl)methyl]but-2-enamide (CID 154681983) is (Z)-4-imino-N-[(1-methylpyrazol-3-yl)methyl]but-2-enamide.
What is the SMILES notation for (Z)-4-imino-N-[(1-methylpyrazol-3-yl)methyl]but-2-enamide?
The canonical SMILES for (Z)-4-imino-N-[(1-methylpyrazol-3-yl)methyl]but-2-enamide is [H]/N=C/C=C\C(=O)NCc1ccn(C)n1.
What is the InChIKey of (Z)-4-imino-N-[(1-methylpyrazol-3-yl)methyl]but-2-enamide?
The InChIKey is FWOVNXFEBMMHCE-IPIUBCRSSA-N. The full InChI is InChI=1S/C9H12N4O/c1-13-6-4-8(12-13)7-11-9(14)3-2-5-10/h2-6,10H,7H2,1H3,(H,11,14)/b3-2-,10-5+.
What are the key properties of (Z)-4-imino-N-[(1-methylpyrazol-3-yl)methyl]but-2-enamide?
(Z)-4-imino-N-[(1-methylpyrazol-3-yl)methyl]but-2-enamide has a molecular weight of 192.22 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-N-[(1-methylpyrazol-3-yl)methyl]but-2-enamide is sourced from PubChem (CID 154681983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).