5-chloro-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide

C18H13ClF3N5O2 — CID 155010079

IUPAC5-chloro-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)CCc1ccc(C(F)(F)F)nc1)c1cncc(Cl)c1
InChIInChI=1S/C18H13ClF3N5O2/c19-12-5-11(7-23-8-12)17(29)26-13-9-25-27-16(13)14(28)3-1-10-2-4-15(24-6-10)18(20,21)22/h2,4-9H,1,3H2,(H,25,27)(H,26,29)
InChIKeyNMFSLBCCYINMGC-UHFFFAOYSA-N
MW423.78 g/mol
LogP3.94
Rot. Bonds6

About 5-chloro-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide

5-chloro-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide (PubChem CID 155010079) has the molecular formula C18H13ClF3N5O2 and a molecular weight of 423.78 g/mol. Its IUPAC name is 5-chloro-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
PubChem CID155010079
Molecular FormulaC18H13ClF3N5O2
Molecular Weight423.78 g/mol
Exact Mass423.07
IUPAC Name5-chloro-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)CCc1ccc(C(F)(F)F)nc1)c1cncc(Cl)c1
InChIInChI=1S/C18H13ClF3N5O2/c19-12-5-11(7-23-8-12)17(29)26-13-9-25-27-16(13)14(28)3-1-10-2-4-15(24-6-10)18(20,21)22/h2,4-9H,1,3H2,(H,25,27)(H,26,29)
InChIKeyNMFSLBCCYINMGC-UHFFFAOYSA-N
XLogP3.94
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.78
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(trifluoromethyl)-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 155009996
N-[5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654515
N-[1-[5-(trifluoromethyl)-3-pyridinyl]ethenyl]-5-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-1-en-2-yl]-1H-pyrazol-4-amine
CID 154654412
N-[5-[(6-piperidin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154654414
N-[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 154654222
N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64794112
N-(5,6-difluoro-1H-indol-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154652690
N-(2,4-difluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33164256
5-chloro-N-hydroxypyridine-3-carboxamide
CID 130672064
5-ethyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 166234581
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64547392
N-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33163993

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide (CID 155010079) is 5-chloro-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide is O=C(Nc1cn[nH]c1C(=O)CCc1ccc(C(F)(F)F)nc1)c1cncc(Cl)c1.
What is the InChIKey of 5-chloro-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The InChIKey is NMFSLBCCYINMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N5O2/c19-12-5-11(7-23-8-12)17(29)26-13-9-25-27-16(13)14(28)3-1-10-2-4-15(24-6-10)18(20,21)22/h2,4-9H,1,3H2,(H,25,27)(H,26,29).
What are the key properties of 5-chloro-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
5-chloro-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide has a molecular weight of 423.78 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 155010079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).