3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide

C19H21ClFN5O — CID 19286049

IUPAC3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide
SMILESCc1nn(CC(C)C(=O)Nc2ccn(Cc3ccccc3F)n2)c(C)c1Cl
InChIInChI=1S/C19H21ClFN5O/c1-12(10-26-14(3)18(20)13(2)23-26)19(27)22-17-8-9-25(24-17)11-15-6-4-5-7-16(15)21/h4-9,12H,10-11H2,1-3H3,(H,22,24,27)
InChIKeyZDHFLNWFEHTKTA-UHFFFAOYSA-N
MW389.86 g/mol
LogP3.81
Rot. Bonds6

About 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide (PubChem CID 19286049) has the molecular formula C19H21ClFN5O and a molecular weight of 389.86 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide
PubChem CID19286049
Molecular FormulaC19H21ClFN5O
Molecular Weight389.86 g/mol
Exact Mass389.14
IUPAC Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide
SMILESCc1nn(CC(C)C(=O)Nc2ccn(Cc3ccccc3F)n2)c(C)c1Cl
InChIInChI=1S/C19H21ClFN5O/c1-12(10-26-14(3)18(20)13(2)23-26)19(27)22-17-8-9-25(24-17)11-15-6-4-5-7-16(15)21/h4-9,12H,10-11H2,1-3H3,(H,22,24,27)
InChIKeyZDHFLNWFEHTKTA-UHFFFAOYSA-N
XLogP3.81
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19285441
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanamide
CID 19568601
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methylpropanamide
CID 19568656
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19285937
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methylpropanamide
CID 19568663
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285724
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285483
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide
CID 19568517
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 19517389
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19345388
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]butanamide
CID 19549561
1-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19395237

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide?
The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide (CID 19286049) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide?
The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide is Cc1nn(CC(C)C(=O)Nc2ccn(Cc3ccccc3F)n2)c(C)c1Cl.
What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide?
The InChIKey is ZDHFLNWFEHTKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN5O/c1-12(10-26-14(3)18(20)13(2)23-26)19(27)22-17-8-9-25(24-17)11-15-6-4-5-7-16(15)21/h4-9,12H,10-11H2,1-3H3,(H,22,24,27).
What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide?
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide has a molecular weight of 389.86 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide is sourced from PubChem (CID 19286049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).