N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide

C16H14ClF5N4O — CID 118167493

IUPACN-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(CC1(c2ncc(C(F)(F)F)cc2Cl)CC1)C(=O)c1cn[nH]c1C(F)F
InChIInChI=1S/C16H14ClF5N4O/c1-26(14(27)9-6-24-25-11(9)13(18)19)7-15(2-3-15)12-10(17)4-8(5-23-12)16(20,21)22/h4-6,13H,2-3,7H2,1H3,(H,24,25)
InChIKeyFEJFNBPJDWHPSC-UHFFFAOYSA-N
MW408.76 g/mol
LogP4.22
Rot. Bonds5

About N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide

N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 118167493) has the molecular formula C16H14ClF5N4O and a molecular weight of 408.76 g/mol. Its IUPAC name is N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID118167493
Molecular FormulaC16H14ClF5N4O
Molecular Weight408.76 g/mol
Exact Mass408.08
IUPAC NameN-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(CC1(c2ncc(C(F)(F)F)cc2Cl)CC1)C(=O)c1cn[nH]c1C(F)F
InChIInChI=1S/C16H14ClF5N4O/c1-26(14(27)9-6-24-25-11(9)13(18)19)7-15(2-3-15)12-10(17)4-8(5-23-12)16(20,21)22/h4-6,13H,2-3,7H2,1H3,(H,24,25)
InChIKeyFEJFNBPJDWHPSC-UHFFFAOYSA-N
XLogP4.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.76
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(difluoromethyl)-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 144770900
N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-3-methylpyridine-2-carboxamide
CID 71558838
N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-2,6-difluoro-N-methoxybenzenecarboximidamide
CID 152640446
N-[1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]ethyl]-2-methylpropane-2-sulfinamide
CID 71559280
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-2-ol
CID 55037938
5-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 114951112
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-ethylacetamide
CID 47256308
3-chloro-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 146139841
N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropyl]acetamide
CID 170830717
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-hydroxybut-3-en-2-one
CID 7075350
3-chloro-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 14933767
2-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl-methylamino]acetic acid
CID 119346564

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide (CID 118167493) is N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide is CN(CC1(c2ncc(C(F)(F)F)cc2Cl)CC1)C(=O)c1cn[nH]c1C(F)F.
What is the InChIKey of N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is FEJFNBPJDWHPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF5N4O/c1-26(14(27)9-6-24-25-11(9)13(18)19)7-15(2-3-15)12-10(17)4-8(5-23-12)16(20,21)22/h4-6,13H,2-3,7H2,1H3,(H,24,25).
What are the key properties of N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide?
N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 408.76 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 118167493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).