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

C18H17F2N5O — CID 24793944

IUPACN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F
InChIInChI=1S/C18H17F2N5O/c1-24-17(7-8-21-24)18(26)23-14-3-2-4-15-12(14)10-22-25(15)16-6-5-11(19)9-13(16)20/h5-10,14H,2-4H2,1H3,(H,23,26)
InChIKeyGXLKSVCDXUMIAV-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.69
Rot. Bonds3

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

N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 24793944) has the molecular formula C18H17F2N5O and a molecular weight of 357.36 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide
PubChem CID24793944
Molecular FormulaC18H17F2N5O
Molecular Weight357.36 g/mol
Exact Mass357.14
IUPAC NameN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F
InChIInChI=1S/C18H17F2N5O/c1-24-17(7-8-21-24)18(26)23-14-3-2-4-15-12(14)10-22-25(15)16-6-5-11(19)9-13(16)20/h5-10,14H,2-4H2,1H3,(H,23,26)
InChIKeyGXLKSVCDXUMIAV-UHFFFAOYSA-N
XLogP2.69
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide (CID 24793944) is N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is GXLKSVCDXUMIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O/c1-24-17(7-8-21-24)18(26)23-14-3-2-4-15-12(14)10-22-25(15)16-6-5-11(19)9-13(16)20/h5-10,14H,2-4H2,1H3,(H,23,26).
What are the key properties of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide?
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 357.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 24793944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).