N-(1-benzylpyrazol-4-yl)-6,6-difluoro-1,4,5,7-tetrahydroindazole-3-carboxamide

C18H17F2N5O — CID 90037453

IUPACN-(1-benzylpyrazol-4-yl)-6,6-difluoro-1,4,5,7-tetrahydroindazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2c1CCC(F)(F)C2
InChIInChI=1S/C18H17F2N5O/c19-18(20)7-6-14-15(8-18)23-24-16(14)17(26)22-13-9-21-25(11-13)10-12-4-2-1-3-5-12/h1-5,9,11H,6-8,10H2,(H,22,26)(H,23,24)
InChIKeyMEKYNOFETGQGRE-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.03
Rot. Bonds4

About N-(1-benzylpyrazol-4-yl)-6,6-difluoro-1,4,5,7-tetrahydroindazole-3-carboxamide

N-(1-benzylpyrazol-4-yl)-6,6-difluoro-1,4,5,7-tetrahydroindazole-3-carboxamide (PubChem CID 90037453) has the molecular formula C18H17F2N5O and a molecular weight of 357.36 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-6,6-difluoro-1,4,5,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-6,6-difluoro-1,4,5,7-tetrahydroindazole-3-carboxamide
PubChem CID90037453
Molecular FormulaC18H17F2N5O
Molecular Weight357.36 g/mol
Exact Mass357.14
IUPAC NameN-(1-benzylpyrazol-4-yl)-6,6-difluoro-1,4,5,7-tetrahydroindazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2c1CCC(F)(F)C2
InChIInChI=1S/C18H17F2N5O/c19-18(20)7-6-14-15(8-18)23-24-16(14)17(26)22-13-9-21-25(11-13)10-12-4-2-1-3-5-12/h1-5,9,11H,6-8,10H2,(H,22,26)(H,23,24)
InChIKeyMEKYNOFETGQGRE-UHFFFAOYSA-N
XLogP3.03
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-6,6-difluoro-1,4,5,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-6,6-difluoro-1,4,5,7-tetrahydroindazole-3-carboxamide (CID 90037453) is N-(1-benzylpyrazol-4-yl)-6,6-difluoro-1,4,5,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-6,6-difluoro-1,4,5,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-6,6-difluoro-1,4,5,7-tetrahydroindazole-3-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2c1CCC(F)(F)C2.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-6,6-difluoro-1,4,5,7-tetrahydroindazole-3-carboxamide?
The InChIKey is MEKYNOFETGQGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O/c19-18(20)7-6-14-15(8-18)23-24-16(14)17(26)22-13-9-21-25(11-13)10-12-4-2-1-3-5-12/h1-5,9,11H,6-8,10H2,(H,22,26)(H,23,24).
What are the key properties of N-(1-benzylpyrazol-4-yl)-6,6-difluoro-1,4,5,7-tetrahydroindazole-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-6,6-difluoro-1,4,5,7-tetrahydroindazole-3-carboxamide has a molecular weight of 357.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-6,6-difluoro-1,4,5,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 90037453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).