N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodo-1H-pyrazole-5-carboxamide

C20H16IN5O — CID 19479833

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodo-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1[nH]ncc1I
InChIInChI=1S/C20H16IN5O/c21-17-12-23-24-19(17)20(27)22-11-15-13-26(16-9-5-2-6-10-16)25-18(15)14-7-3-1-4-8-14/h1-10,12-13H,11H2,(H,22,27)(H,23,24)
InChIKeyLTUSQTYBNHDXHT-UHFFFAOYSA-N
MW469.29 g/mol
LogP3.80
Rot. Bonds5

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodo-1H-pyrazole-5-carboxamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodo-1H-pyrazole-5-carboxamide (PubChem CID 19479833) has the molecular formula C20H16IN5O and a molecular weight of 469.29 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodo-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodo-1H-pyrazole-5-carboxamide
PubChem CID19479833
Molecular FormulaC20H16IN5O
Molecular Weight469.29 g/mol
Exact Mass469.04
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodo-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1[nH]ncc1I
InChIInChI=1S/C20H16IN5O/c21-17-12-23-24-19(17)20(27)22-11-15-13-26(16-9-5-2-6-10-16)25-18(15)14-7-3-1-4-8-14/h1-10,12-13H,11H2,(H,22,27)(H,23,24)
InChIKeyLTUSQTYBNHDXHT-UHFFFAOYSA-N
XLogP3.80
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.29
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19509375
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide
CID 19281007
4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 19262748
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide
CID 42116246
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279614
4,5-dibromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 19288857
3-[4-(difluoromethoxy)phenyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19514180
1-(cyclopropanecarbonyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 27864196
N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitrofuran-2-carboxamide
CID 42358565
3-[3-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19506517
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 46511717

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodo-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodo-1H-pyrazole-5-carboxamide (CID 19479833) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodo-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodo-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodo-1H-pyrazole-5-carboxamide is O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1[nH]ncc1I.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodo-1H-pyrazole-5-carboxamide?
The InChIKey is LTUSQTYBNHDXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16IN5O/c21-17-12-23-24-19(17)20(27)22-11-15-13-26(16-9-5-2-6-10-16)25-18(15)14-7-3-1-4-8-14/h1-10,12-13H,11H2,(H,22,27)(H,23,24).
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodo-1H-pyrazole-5-carboxamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodo-1H-pyrazole-5-carboxamide has a molecular weight of 469.29 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodo-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19479833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).