4-iodo-1-methyl-N'-(3-phenylprop-1-enyl)pyrazole-3-carbohydrazide

C14H15IN4O — CID 7008767

IUPAC4-iodo-1-methyl-N'-(3-phenylprop-1-enyl)pyrazole-3-carbohydrazide
SMILESCn1cc(I)c(C(=O)NNC=CCc2ccccc2)n1
InChIInChI=1S/C14H15IN4O/c1-19-10-12(15)13(18-19)14(20)17-16-9-5-8-11-6-3-2-4-7-11/h2-7,9-10,16H,8H2,1H3,(H,17,20)
InChIKeySORNLPBBMOVPNO-UHFFFAOYSA-N
MW382.21 g/mol
LogP2.02
Rot. Bonds5

About 4-iodo-1-methyl-N'-(3-phenylprop-1-enyl)pyrazole-3-carbohydrazide

4-iodo-1-methyl-N'-(3-phenylprop-1-enyl)pyrazole-3-carbohydrazide (PubChem CID 7008767) has the molecular formula C14H15IN4O and a molecular weight of 382.21 g/mol. Its IUPAC name is 4-iodo-1-methyl-N'-(3-phenylprop-1-enyl)pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-iodo-1-methyl-N'-(3-phenylprop-1-enyl)pyrazole-3-carbohydrazide
PubChem CID7008767
Molecular FormulaC14H15IN4O
Molecular Weight382.21 g/mol
Exact Mass382.03
IUPAC Name4-iodo-1-methyl-N'-(3-phenylprop-1-enyl)pyrazole-3-carbohydrazide
SMILESCn1cc(I)c(C(=O)NNC=CCc2ccccc2)n1
InChIInChI=1S/C14H15IN4O/c1-19-10-12(15)13(18-19)14(20)17-16-9-5-8-11-6-3-2-4-7-11/h2-7,9-10,16H,8H2,1H3,(H,17,20)
InChIKeySORNLPBBMOVPNO-UHFFFAOYSA-N
XLogP2.02
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.21
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-methyl-N'-(3-phenylprop-1-enyl)pyrazole-3-carbohydrazide?
The IUPAC name of 4-iodo-1-methyl-N'-(3-phenylprop-1-enyl)pyrazole-3-carbohydrazide (CID 7008767) is 4-iodo-1-methyl-N'-(3-phenylprop-1-enyl)pyrazole-3-carbohydrazide.
What is the SMILES notation for 4-iodo-1-methyl-N'-(3-phenylprop-1-enyl)pyrazole-3-carbohydrazide?
The canonical SMILES for 4-iodo-1-methyl-N'-(3-phenylprop-1-enyl)pyrazole-3-carbohydrazide is Cn1cc(I)c(C(=O)NNC=CCc2ccccc2)n1.
What is the InChIKey of 4-iodo-1-methyl-N'-(3-phenylprop-1-enyl)pyrazole-3-carbohydrazide?
The InChIKey is SORNLPBBMOVPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN4O/c1-19-10-12(15)13(18-19)14(20)17-16-9-5-8-11-6-3-2-4-7-11/h2-7,9-10,16H,8H2,1H3,(H,17,20).
What are the key properties of 4-iodo-1-methyl-N'-(3-phenylprop-1-enyl)pyrazole-3-carbohydrazide?
4-iodo-1-methyl-N'-(3-phenylprop-1-enyl)pyrazole-3-carbohydrazide has a molecular weight of 382.21 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-methyl-N'-(3-phenylprop-1-enyl)pyrazole-3-carbohydrazide is sourced from PubChem (CID 7008767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).