2-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide

C18H17ClF3N5O — CID 19346927

IUPAC2-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide
SMILESCC(C)(C(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1)n1cc(Cl)cn1
InChIInChI=1S/C18H17ClF3N5O/c1-17(2,27-10-14(19)7-24-27)16(28)25-15-8-23-26(11-15)9-12-4-3-5-13(6-12)18(20,21)22/h3-8,10-11H,9H2,1-2H3,(H,25,28)
InChIKeyNSFVYIUTSFIFKK-UHFFFAOYSA-N
MW411.82 g/mol
LogP4.17
Rot. Bonds5

About 2-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide

2-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide (PubChem CID 19346927) has the molecular formula C18H17ClF3N5O and a molecular weight of 411.82 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide
PubChem CID19346927
Molecular FormulaC18H17ClF3N5O
Molecular Weight411.82 g/mol
Exact Mass411.11
IUPAC Name2-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide
SMILESCC(C)(C(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1)n1cc(Cl)cn1
InChIInChI=1S/C18H17ClF3N5O/c1-17(2,27-10-14(19)7-24-27)16(28)25-15-8-23-26(11-15)9-12-4-3-5-13(6-12)18(20,21)22/h3-8,10-11H,9H2,1-2H3,(H,25,28)
InChIKeyNSFVYIUTSFIFKK-UHFFFAOYSA-N
XLogP4.17
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.82
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]acetamide
CID 19346859
4-chloro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346964
2-(4-chloropyrazol-1-yl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-methylpropanamide
CID 19338558
1-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19447957
2,4-dichloro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346965
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19447776
1-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea
CID 19344336
4-chloro-1-ethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19263426
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea
CID 19344361
2-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-methylpropanamide
CID 19407748
2-(4-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 19346838
3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide
CID 19553970

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide (CID 19346927) is 2-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide is CC(C)(C(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1)n1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide?
The InChIKey is NSFVYIUTSFIFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N5O/c1-17(2,27-10-14(19)7-24-27)16(28)25-15-8-23-26(11-15)9-12-4-3-5-13(6-12)18(20,21)22/h3-8,10-11H,9H2,1-2H3,(H,25,28).
What are the key properties of 2-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide?
2-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide has a molecular weight of 411.82 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 19346927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).