3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide

C18H17ClF3N5O — CID 19553970

IUPAC3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide
SMILESCc1c(Cl)cnn1CCC(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H17ClF3N5O/c1-12-16(19)9-24-27(12)6-5-17(28)25-15-8-23-26(11-15)10-13-3-2-4-14(7-13)18(20,21)22/h2-4,7-9,11H,5-6,10H2,1H3,(H,25,28)
InChIKeyVKIDMQFEGAPMRJ-UHFFFAOYSA-N
MW411.82 g/mol
LogP4.14
Rot. Bonds6

About 3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide

3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide (PubChem CID 19553970) has the molecular formula C18H17ClF3N5O and a molecular weight of 411.82 g/mol. Its IUPAC name is 3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide
PubChem CID19553970
Molecular FormulaC18H17ClF3N5O
Molecular Weight411.82 g/mol
Exact Mass411.11
IUPAC Name3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide
SMILESCc1c(Cl)cnn1CCC(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H17ClF3N5O/c1-12-16(19)9-24-27(12)6-5-17(28)25-15-8-23-26(11-15)10-13-3-2-4-14(7-13)18(20,21)22/h2-4,7-9,11H,5-6,10H2,1H3,(H,25,28)
InChIKeyVKIDMQFEGAPMRJ-UHFFFAOYSA-N
XLogP4.14
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.82
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methylpyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide
CID 19555897
2-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]acetamide
CID 19517871
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]acetamide
CID 19523174
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19520705
2-(5-methyl-4-nitropyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]acetamide
CID 19522577
4-chloro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346964
2,4-dichloro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346965
4-chloro-1-ethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19263426
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide
CID 19554225
2,2,2-trifluoro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]acetamide
CID 19346859
3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide
CID 19556366
2,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346909

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide?
The IUPAC name of 3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide (CID 19553970) is 3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide?
The canonical SMILES for 3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide is Cc1c(Cl)cnn1CCC(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide?
The InChIKey is VKIDMQFEGAPMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N5O/c1-12-16(19)9-24-27(12)6-5-17(28)25-15-8-23-26(11-15)10-13-3-2-4-14(7-13)18(20,21)22/h2-4,7-9,11H,5-6,10H2,1H3,(H,25,28).
What are the key properties of 3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide?
3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide has a molecular weight of 411.82 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 19553970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).