1-(cyclopropylmethyl)-N-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C18H19F2N3O — CID 155688297

IUPAC1-(cyclopropylmethyl)-N-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1nn(CC2CC2)c2c1CCCC2
InChIInChI=1S/C18H19F2N3O/c19-13-5-3-6-14(20)17(13)21-18(24)16-12-4-1-2-7-15(12)23(22-16)10-11-8-9-11/h3,5-6,11H,1-2,4,7-10H2,(H,21,24)
InChIKeyPLKVUWPICORNCL-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.70
Rot. Bonds4

About 1-(cyclopropylmethyl)-N-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

1-(cyclopropylmethyl)-N-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 155688297) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID155688297
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name1-(cyclopropylmethyl)-N-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1nn(CC2CC2)c2c1CCCC2
InChIInChI=1S/C18H19F2N3O/c19-13-5-3-6-14(20)17(13)21-18(24)16-12-4-1-2-7-15(12)23(22-16)10-11-8-9-11/h3,5-6,11H,1-2,4,7-10H2,(H,21,24)
InChIKeyPLKVUWPICORNCL-UHFFFAOYSA-N
XLogP3.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 155688297) is 1-(cyclopropylmethyl)-N-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is O=C(Nc1c(F)cccc1F)c1nn(CC2CC2)c2c1CCCC2.
What is the InChIKey of 1-(cyclopropylmethyl)-N-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is PLKVUWPICORNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O/c19-13-5-3-6-14(20)17(13)21-18(24)16-12-4-1-2-7-15(12)23(22-16)10-11-8-9-11/h3,5-6,11H,1-2,4,7-10H2,(H,21,24).
What are the key properties of 1-(cyclopropylmethyl)-N-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-(cyclopropylmethyl)-N-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 155688297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).