4-[(2-iodobenzoyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide

C17H17IN6O2 — CID 19336742

IUPAC4-[(2-iodobenzoyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
SMILESCn1cc(CNC(=O)c2c(NC(=O)c3ccccc3I)cnn2C)cn1
InChIInChI=1S/C17H17IN6O2/c1-23-10-11(8-20-23)7-19-17(26)15-14(9-21-24(15)2)22-16(25)12-5-3-4-6-13(12)18/h3-6,8-10H,7H2,1-2H3,(H,19,26)(H,22,25)
InChIKeyIYZVKEOVXXFNNL-UHFFFAOYSA-N
MW464.27 g/mol
LogP1.94
Rot. Bonds5

About 4-[(2-iodobenzoyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide

4-[(2-iodobenzoyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide (PubChem CID 19336742) has the molecular formula C17H17IN6O2 and a molecular weight of 464.27 g/mol. Its IUPAC name is 4-[(2-iodobenzoyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2-iodobenzoyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
PubChem CID19336742
Molecular FormulaC17H17IN6O2
Molecular Weight464.27 g/mol
Exact Mass464.05
IUPAC Name4-[(2-iodobenzoyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
SMILESCn1cc(CNC(=O)c2c(NC(=O)c3ccccc3I)cnn2C)cn1
InChIInChI=1S/C17H17IN6O2/c1-23-10-11(8-20-23)7-19-17(26)15-14(9-21-24(15)2)22-16(25)12-5-3-4-6-13(12)18/h3-6,8-10H,7H2,1-2H3,(H,19,26)(H,22,25)
InChIKeyIYZVKEOVXXFNNL-UHFFFAOYSA-N
XLogP1.94
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19475210
4-[(4-chlorophenyl)carbamoylamino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19449703
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide
CID 19336777
7-(difluoromethyl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19336951
2-[4-[[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500749
4-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19336834
4-[(4,5-dibromothiophene-2-carbonyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19336835
4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19336853
4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19525062
4-[[1-(methoxymethyl)pyrazole-3-carbonyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19270987
2-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]quinoline-4-carboxamide
CID 19511661
N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19336929

Frequently Asked Questions

What is the IUPAC name of 4-[(2-iodobenzoyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-[(2-iodobenzoyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide (CID 19336742) is 4-[(2-iodobenzoyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2-iodobenzoyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2-iodobenzoyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide is Cn1cc(CNC(=O)c2c(NC(=O)c3ccccc3I)cnn2C)cn1.
What is the InChIKey of 4-[(2-iodobenzoyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is IYZVKEOVXXFNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN6O2/c1-23-10-11(8-20-23)7-19-17(26)15-14(9-21-24(15)2)22-16(25)12-5-3-4-6-13(12)18/h3-6,8-10H,7H2,1-2H3,(H,19,26)(H,22,25).
What are the key properties of 4-[(2-iodobenzoyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?
4-[(2-iodobenzoyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 464.27 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-iodobenzoyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 19336742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).