3-hydroxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C19H23N3O2 — CID 95159871

IUPAC3-hydroxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCn1ncc2c1CCC[C@H]2NC(=O)c1cc2c(cc1O)CCCC2
InChIInChI=1S/C19H23N3O2/c1-22-17-8-4-7-16(15(17)11-20-22)21-19(24)14-9-12-5-2-3-6-13(12)10-18(14)23/h9-11,16,23H,2-8H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyWULQPZHHIPNBPJ-MRXNPFEDSA-N
MW325.41 g/mol
LogP2.81
Rot. Bonds2

About 3-hydroxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

3-hydroxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 95159871) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-hydroxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID95159871
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-hydroxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCn1ncc2c1CCC[C@H]2NC(=O)c1cc2c(cc1O)CCCC2
InChIInChI=1S/C19H23N3O2/c1-22-17-8-4-7-16(15(17)11-20-22)21-19(24)14-9-12-5-2-3-6-13(12)10-18(14)23/h9-11,16,23H,2-8H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyWULQPZHHIPNBPJ-MRXNPFEDSA-N
XLogP2.81
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]furan-3-carboxamide
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6-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 103696348
1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide
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CID 43063208
2-amino-4-bromo-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 79704714
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
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1,6-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 43073922
1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119293137
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 47027925
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 95159871) is 3-hydroxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is Cn1ncc2c1CCC[C@H]2NC(=O)c1cc2c(cc1O)CCCC2.
What is the InChIKey of 3-hydroxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is WULQPZHHIPNBPJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-22-17-8-4-7-16(15(17)11-20-22)21-19(24)14-9-12-5-2-3-6-13(12)10-18(14)23/h9-11,16,23H,2-8H2,1H3,(H,21,24)/t16-/m1/s1.
What are the key properties of 3-hydroxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
3-hydroxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 95159871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).