N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide

C19H19N5O — CID 6869472

IUPACN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCC(/C=N/NC(=O)c1cc(-c2cccn2C)n[nH]1)=C\c1ccccc1
InChIInChI=1S/C19H19N5O/c1-14(11-15-7-4-3-5-8-15)13-20-23-19(25)17-12-16(21-22-17)18-9-6-10-24(18)2/h3-13H,1-2H3,(H,21,22)(H,23,25)/b14-11+,20-13+
InChIKeyWXCPVGSUCJEGEE-NKSMKPMTSA-N
MW333.40 g/mol
LogP3.23
Rot. Bonds5

About N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide

N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 6869472) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID6869472
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC NameN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCC(/C=N/NC(=O)c1cc(-c2cccn2C)n[nH]1)=C\c1ccccc1
InChIInChI=1S/C19H19N5O/c1-14(11-15-7-4-3-5-8-15)13-20-23-19(25)17-12-16(21-22-17)18-9-6-10-24(18)2/h3-13H,1-2H3,(H,21,22)(H,23,25)/b14-11+,20-13+
InChIKeyWXCPVGSUCJEGEE-NKSMKPMTSA-N
XLogP3.23
TPSA75.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide (CID 6869472) is N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide is CC(/C=N/NC(=O)c1cc(-c2cccn2C)n[nH]1)=C\c1ccccc1.
What is the InChIKey of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is WXCPVGSUCJEGEE-NKSMKPMTSA-N. The full InChI is InChI=1S/C19H19N5O/c1-14(11-15-7-4-3-5-8-15)13-20-23-19(25)17-12-16(21-22-17)18-9-6-10-24(18)2/h3-13H,1-2H3,(H,21,22)(H,23,25)/b14-11+,20-13+.
What are the key properties of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6869472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).