(2R)-2-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5-phenylpentanamide

C20H27N3O — CID 97258746

IUPAC(2R)-2-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5-phenylpentanamide
SMILESC[C@H](CCCc1ccccc1)C(=O)N[C@H]1CCCc2c1cnn2C
InChIInChI=1S/C20H27N3O/c1-15(8-6-11-16-9-4-3-5-10-16)20(24)22-18-12-7-13-19-17(18)14-21-23(19)2/h3-5,9-10,14-15,18H,6-8,11-13H2,1-2H3,(H,22,24)/t15-,18+/m1/s1
InChIKeyKEQDPAGSTUVPQY-QAPCUYQASA-N
MW325.46 g/mol
LogP3.57
Rot. Bonds6

About (2R)-2-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5-phenylpentanamide

(2R)-2-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5-phenylpentanamide (PubChem CID 97258746) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is (2R)-2-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5-phenylpentanamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5-phenylpentanamide
PubChem CID97258746
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name(2R)-2-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5-phenylpentanamide
SMILESC[C@H](CCCc1ccccc1)C(=O)N[C@H]1CCCc2c1cnn2C
InChIInChI=1S/C20H27N3O/c1-15(8-6-11-16-9-4-3-5-10-16)20(24)22-18-12-7-13-19-17(18)14-21-23(19)2/h3-5,9-10,14-15,18H,6-8,11-13H2,1-2H3,(H,22,24)/t15-,18+/m1/s1
InChIKeyKEQDPAGSTUVPQY-QAPCUYQASA-N
XLogP3.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide
CID 119293122
3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 62669622
2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 47221339
(2R)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide;hydrochloride
CID 119293132
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55635619
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 43712088
1-(1-benzylpiperidin-4-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 42956437
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
2-(2-chlorophenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 56731318
1-benzyl-3,5-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrazole-4-carboxamide
CID 42956215
3-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide
CID 62728115
2-amino-4-methoxy-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 62475195

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5-phenylpentanamide?
The IUPAC name of (2R)-2-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5-phenylpentanamide (CID 97258746) is (2R)-2-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5-phenylpentanamide.
What is the SMILES notation for (2R)-2-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5-phenylpentanamide?
The canonical SMILES for (2R)-2-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5-phenylpentanamide is C[C@H](CCCc1ccccc1)C(=O)N[C@H]1CCCc2c1cnn2C.
What is the InChIKey of (2R)-2-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5-phenylpentanamide?
The InChIKey is KEQDPAGSTUVPQY-QAPCUYQASA-N. The full InChI is InChI=1S/C20H27N3O/c1-15(8-6-11-16-9-4-3-5-10-16)20(24)22-18-12-7-13-19-17(18)14-21-23(19)2/h3-5,9-10,14-15,18H,6-8,11-13H2,1-2H3,(H,22,24)/t15-,18+/m1/s1.
What are the key properties of (2R)-2-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5-phenylpentanamide?
(2R)-2-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5-phenylpentanamide has a molecular weight of 325.46 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5-phenylpentanamide is sourced from PubChem (CID 97258746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).