3-(2-fluorophenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-5-carboxamide

C17H16FN5O — CID 97149757

IUPAC3-(2-fluorophenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H]1CCc2[nH]ncc2C1)c1cc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C17H16FN5O/c18-13-4-2-1-3-12(13)15-8-16(23-22-15)17(24)20-11-5-6-14-10(7-11)9-19-21-14/h1-4,8-9,11H,5-7H2,(H,19,21)(H,20,24)(H,22,23)/t11-/m0/s1
InChIKeyJORLRVNVEILZBA-NSHDSACASA-N
MW325.35 g/mol
LogP2.23
Rot. Bonds3

About 3-(2-fluorophenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-5-carboxamide

3-(2-fluorophenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-5-carboxamide (PubChem CID 97149757) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-5-carboxamide
PubChem CID97149757
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name3-(2-fluorophenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H]1CCc2[nH]ncc2C1)c1cc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C17H16FN5O/c18-13-4-2-1-3-12(13)15-8-16(23-22-15)17(24)20-11-5-6-14-10(7-11)9-19-21-14/h1-4,8-9,11H,5-7H2,(H,19,21)(H,20,24)(H,22,23)/t11-/m0/s1
InChIKeyJORLRVNVEILZBA-NSHDSACASA-N
XLogP2.23
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[2-oxo-2-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)ethyl]benzamide
CID 126792931
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CID 70713171
1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 71909222
1-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97078030
1-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97078031
3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxamide
CID 64525278
5-[(4-fluorophenoxy)methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)furan-2-carboxamide
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N-[(1,1-dioxothian-4-yl)methyl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 118763156
2-benzyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3-thiazole-4-carboxamide
CID 70711066
3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 175702087
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-5-carboxamide (CID 97149757) is 3-(2-fluorophenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-5-carboxamide is O=C(N[C@H]1CCc2[nH]ncc2C1)c1cc(-c2ccccc2F)n[nH]1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is JORLRVNVEILZBA-NSHDSACASA-N. The full InChI is InChI=1S/C17H16FN5O/c18-13-4-2-1-3-12(13)15-8-16(23-22-15)17(24)20-11-5-6-14-10(7-11)9-19-21-14/h1-4,8-9,11H,5-7H2,(H,19,21)(H,20,24)(H,22,23)/t11-/m0/s1.
What are the key properties of 3-(2-fluorophenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-5-carboxamide?
3-(2-fluorophenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 325.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 97149757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).