N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C20H24N6O — CID 139360861

IUPACN-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2n[nH]c3c2CCCC3)c1
InChIInChI=1S/C20H24N6O/c1-13(10-18-24-21-12-26(18)2)14-6-5-7-15(11-14)22-20(27)19-16-8-3-4-9-17(16)23-25-19/h5-7,11-13H,3-4,8-10H2,1-2H3,(H,22,27)(H,23,25)/t13-/m1/s1
InChIKeyUZYUEQCKIBYFIO-CYBMUJFWSA-N
MW364.45 g/mol
LogP3.02
Rot. Bonds5

About N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 139360861) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID139360861
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2n[nH]c3c2CCCC3)c1
InChIInChI=1S/C20H24N6O/c1-13(10-18-24-21-12-26(18)2)14-6-5-7-15(11-14)22-20(27)19-16-8-3-4-9-17(16)23-25-19/h5-7,11-13H,3-4,8-10H2,1-2H3,(H,22,27)(H,23,25)/t13-/m1/s1
InChIKeyUZYUEQCKIBYFIO-CYBMUJFWSA-N
XLogP3.02
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 139360861) is N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2n[nH]c3c2CCCC3)c1.
What is the InChIKey of N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is UZYUEQCKIBYFIO-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13(10-18-24-21-12-26(18)2)14-6-5-7-15(11-14)22-20(27)19-16-8-3-4-9-17(16)23-25-19/h5-7,11-13H,3-4,8-10H2,1-2H3,(H,22,27)(H,23,25)/t13-/m1/s1.
What are the key properties of N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 139360861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).