3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide

C19H22FN5O — CID 46990232

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide
SMILESCc1n[nH]c(C)c1CCC(=O)N(C)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C19H22FN5O/c1-12-17(13(2)23-22-12)8-9-18(26)25(3)11-15-10-21-24-19(15)14-4-6-16(20)7-5-14/h4-7,10H,8-9,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyFAQIVMZSUXLHMN-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.15
Rot. Bonds6

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide (PubChem CID 46990232) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide
PubChem CID46990232
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide
SMILESCc1n[nH]c(C)c1CCC(=O)N(C)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C19H22FN5O/c1-12-17(13(2)23-22-12)8-9-18(26)25(3)11-15-10-21-24-19(15)14-4-6-16(20)7-5-14/h4-7,10H,8-9,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyFAQIVMZSUXLHMN-UHFFFAOYSA-N
XLogP3.15
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide (CID 46990232) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide is Cc1n[nH]c(C)c1CCC(=O)N(C)Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide?
The InChIKey is FAQIVMZSUXLHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-12-17(13(2)23-22-12)8-9-18(26)25(3)11-15-10-21-24-19(15)14-4-6-16(20)7-5-14/h4-7,10H,8-9,11H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide has a molecular weight of 355.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide is sourced from PubChem (CID 46990232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).