N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C15H16F3N7O — CID 19508361

IUPACN-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCCn1ncc(Cn2cc(NC(=O)c3cc(C(F)(F)F)[nH]n3)cn2)c1C
InChIInChI=1S/C15H16F3N7O/c1-3-25-9(2)10(5-20-25)7-24-8-11(6-19-24)21-14(26)12-4-13(23-22-12)15(16,17)18/h4-6,8H,3,7H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyGTMWYFAYUBFIOR-UHFFFAOYSA-N
MW367.34 g/mol
LogP2.45
Rot. Bonds5

About N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 19508361) has the molecular formula C15H16F3N7O and a molecular weight of 367.34 g/mol. Its IUPAC name is N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID19508361
Molecular FormulaC15H16F3N7O
Molecular Weight367.34 g/mol
Exact Mass367.14
IUPAC NameN-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCCn1ncc(Cn2cc(NC(=O)c3cc(C(F)(F)F)[nH]n3)cn2)c1C
InChIInChI=1S/C15H16F3N7O/c1-3-25-9(2)10(5-20-25)7-24-8-11(6-19-24)21-14(26)12-4-13(23-22-12)15(16,17)18/h4-6,8H,3,7H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyGTMWYFAYUBFIOR-UHFFFAOYSA-N
XLogP2.45
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19514083
7-[chloro(difluoro)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19459806
1-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19449749
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 19340410
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide
CID 19340332
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 19475757
4-ethyl-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340392
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide
CID 19340299
1-ethyl-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-nitropyrazole-5-carboxamide
CID 19476569
1,3-bis[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]thiourea
CID 19445910
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19511164
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19531003

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 19508361) is N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is CCn1ncc(Cn2cc(NC(=O)c3cc(C(F)(F)F)[nH]n3)cn2)c1C.
What is the InChIKey of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is GTMWYFAYUBFIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N7O/c1-3-25-9(2)10(5-20-25)7-24-8-11(6-19-24)21-14(26)12-4-13(23-22-12)15(16,17)18/h4-6,8H,3,7H2,1-2H3,(H,21,26)(H,22,23).
What are the key properties of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 367.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19508361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).