(5S)-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazol-5-amine

C19H23N5 — CID 97103415

IUPAC(5S)-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESCc1nccn1-c1ccc([C@@H](C)N[C@H]2CCc3[nH]ncc3C2)cc1
InChIInChI=1S/C19H23N5/c1-13(22-17-5-8-19-16(11-17)12-21-23-19)15-3-6-18(7-4-15)24-10-9-20-14(24)2/h3-4,6-7,9-10,12-13,17,22H,5,8,11H2,1-2H3,(H,21,23)/t13-,17+/m1/s1
InChIKeyLUZUOVSQVPIZKZ-DYVFJYSZSA-N
MW321.43 g/mol
LogP3.11
Rot. Bonds4

About (5S)-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazol-5-amine

(5S)-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazol-5-amine (PubChem CID 97103415) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is (5S)-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazol-5-amine.

Molecular Properties

Compound Name(5S)-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazol-5-amine
PubChem CID97103415
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name(5S)-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESCc1nccn1-c1ccc([C@@H](C)N[C@H]2CCc3[nH]ncc3C2)cc1
InChIInChI=1S/C19H23N5/c1-13(22-17-5-8-19-16(11-17)12-21-23-19)15-3-6-18(7-4-15)24-10-9-20-14(24)2/h3-4,6-7,9-10,12-13,17,22H,5,8,11H2,1-2H3,(H,21,23)/t13-,17+/m1/s1
InChIKeyLUZUOVSQVPIZKZ-DYVFJYSZSA-N
XLogP3.11
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The IUPAC name of (5S)-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazol-5-amine (CID 97103415) is (5S)-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazol-5-amine.
What is the SMILES notation for (5S)-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The canonical SMILES for (5S)-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazol-5-amine is Cc1nccn1-c1ccc([C@@H](C)N[C@H]2CCc3[nH]ncc3C2)cc1.
What is the InChIKey of (5S)-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The InChIKey is LUZUOVSQVPIZKZ-DYVFJYSZSA-N. The full InChI is InChI=1S/C19H23N5/c1-13(22-17-5-8-19-16(11-17)12-21-23-19)15-3-6-18(7-4-15)24-10-9-20-14(24)2/h3-4,6-7,9-10,12-13,17,22H,5,8,11H2,1-2H3,(H,21,23)/t13-,17+/m1/s1.
What are the key properties of (5S)-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazol-5-amine?
(5S)-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazol-5-amine has a molecular weight of 321.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazol-5-amine is sourced from PubChem (CID 97103415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).