N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide

C20H21F2N5O — CID 24791511

IUPACN-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NC1CCCc2c1cnn2-c1cc(F)cc(F)c1
InChIInChI=1S/C20H21F2N5O/c1-3-26-19(7-12(2)25-26)20(28)24-17-5-4-6-18-16(17)11-23-27(18)15-9-13(21)8-14(22)10-15/h7-11,17H,3-6H2,1-2H3,(H,24,28)
InChIKeyWLXNVYTWNUNIFN-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.48
Rot. Bonds4

About N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide

N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 24791511) has the molecular formula C20H21F2N5O and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID24791511
Molecular FormulaC20H21F2N5O
Molecular Weight385.42 g/mol
Exact Mass385.17
IUPAC NameN-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NC1CCCc2c1cnn2-c1cc(F)cc(F)c1
InChIInChI=1S/C20H21F2N5O/c1-3-26-19(7-12(2)25-26)20(28)24-17-5-4-6-18-16(17)11-23-27(18)15-9-13(21)8-14(22)10-15/h7-11,17H,3-6H2,1-2H3,(H,24,28)
InChIKeyWLXNVYTWNUNIFN-UHFFFAOYSA-N
XLogP3.48
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide (CID 24791511) is N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NC1CCCc2c1cnn2-c1cc(F)cc(F)c1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is WLXNVYTWNUNIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O/c1-3-26-19(7-12(2)25-26)20(28)24-17-5-4-6-18-16(17)11-23-27(18)15-9-13(21)8-14(22)10-15/h7-11,17H,3-6H2,1-2H3,(H,24,28).
What are the key properties of N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide?
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 24791511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).