3-(4-iodo-5-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide

C21H20IN5O — CID 19552110

IUPAC3-(4-iodo-5-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
SMILESCc1c(I)cnn1CCC(=O)Nc1ccn(Cc2cccc3ccccc23)n1
InChIInChI=1S/C21H20IN5O/c1-15-19(22)13-23-27(15)12-10-21(28)24-20-9-11-26(25-20)14-17-7-4-6-16-5-2-3-8-18(16)17/h2-9,11,13H,10,12,14H2,1H3,(H,24,25,28)
InChIKeyDDEBVTLPYYAGJS-UHFFFAOYSA-N
MW485.33 g/mol
LogP4.22
Rot. Bonds6

About 3-(4-iodo-5-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide

3-(4-iodo-5-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide (PubChem CID 19552110) has the molecular formula C21H20IN5O and a molecular weight of 485.33 g/mol. Its IUPAC name is 3-(4-iodo-5-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(4-iodo-5-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
PubChem CID19552110
Molecular FormulaC21H20IN5O
Molecular Weight485.33 g/mol
Exact Mass485.07
IUPAC Name3-(4-iodo-5-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
SMILESCc1c(I)cnn1CCC(=O)Nc1ccn(Cc2cccc3ccccc23)n1
InChIInChI=1S/C21H20IN5O/c1-15-19(22)13-23-27(15)12-10-21(28)24-20-9-11-26(25-20)14-17-7-4-6-16-5-2-3-8-18(16)17/h2-9,11,13H,10,12,14H2,1H3,(H,24,25,28)
InChIKeyDDEBVTLPYYAGJS-UHFFFAOYSA-N
XLogP4.22
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.33
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19398605
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide
CID 19394819
2-(3,5-dimethylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19525858
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19520081
2-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 19535499
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552154
N-(1-benzylpyrazol-3-yl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
CID 19286226
3-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 19394803
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]butanamide
CID 19549561
3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 19556334
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19285441
3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19552264

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodo-5-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide?
The IUPAC name of 3-(4-iodo-5-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide (CID 19552110) is 3-(4-iodo-5-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(4-iodo-5-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide?
The canonical SMILES for 3-(4-iodo-5-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide is Cc1c(I)cnn1CCC(=O)Nc1ccn(Cc2cccc3ccccc23)n1.
What is the InChIKey of 3-(4-iodo-5-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide?
The InChIKey is DDEBVTLPYYAGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20IN5O/c1-15-19(22)13-23-27(15)12-10-21(28)24-20-9-11-26(25-20)14-17-7-4-6-16-5-2-3-8-18(16)17/h2-9,11,13H,10,12,14H2,1H3,(H,24,25,28).
What are the key properties of 3-(4-iodo-5-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide?
3-(4-iodo-5-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide has a molecular weight of 485.33 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodo-5-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 19552110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).