4-chloro-1-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C13H15ClF3N5O — CID 19328080

IUPAC4-chloro-1-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cnn(CCCNC(=O)c2c(Cl)c(C(F)(F)F)nn2C)c1
InChIInChI=1S/C13H15ClF3N5O/c1-8-6-19-22(7-8)5-3-4-18-12(23)10-9(14)11(13(15,16)17)20-21(10)2/h6-7H,3-5H2,1-2H3,(H,18,23)
InChIKeyYGTAPNVZNWNBGJ-UHFFFAOYSA-N
MW349.74 g/mol
LogP2.42
Rot. Bonds5

About 4-chloro-1-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

4-chloro-1-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 19328080) has the molecular formula C13H15ClF3N5O and a molecular weight of 349.74 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID19328080
Molecular FormulaC13H15ClF3N5O
Molecular Weight349.74 g/mol
Exact Mass349.09
IUPAC Name4-chloro-1-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cnn(CCCNC(=O)c2c(Cl)c(C(F)(F)F)nn2C)c1
InChIInChI=1S/C13H15ClF3N5O/c1-8-6-19-22(7-8)5-3-4-18-12(23)10-9(14)11(13(15,16)17)20-21(10)2/h6-7H,3-5H2,1-2H3,(H,18,23)
InChIKeyYGTAPNVZNWNBGJ-UHFFFAOYSA-N
XLogP2.42
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.74
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19506699
4-chloro-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481557
4-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481636
4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 4862990
4-chloro-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 118771309
N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
4-bromo-N-[3-(4-chloropyrazol-1-yl)propyl]-1,3-dimethylpyrazole-5-carboxamide
CID 19480524
2,2,3,3,4,4,4-heptafluoro-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide
CID 19328081
N-[(4-tert-butylphenyl)methyl]-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24865554
2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide
CID 19327956
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 19559737
4-chloro-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481728

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 19328080) is 4-chloro-1-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1cnn(CCCNC(=O)c2c(Cl)c(C(F)(F)F)nn2C)c1.
What is the InChIKey of 4-chloro-1-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is YGTAPNVZNWNBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3N5O/c1-8-6-19-22(7-8)5-3-4-18-12(23)10-9(14)11(13(15,16)17)20-21(10)2/h6-7H,3-5H2,1-2H3,(H,18,23).
What are the key properties of 4-chloro-1-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-1-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 349.74 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19328080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).