N-[1-oxo-1-[4-(1,2,4-triazol-1-yl)anilino]propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

C19H21N7O2 — CID 167859068

IUPACN-[1-oxo-1-[4-(1,2,4-triazol-1-yl)anilino]propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCC(NC(=O)C1CCc2[nH]ncc2C1)C(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H21N7O2/c1-12(23-19(28)13-2-7-17-14(8-13)9-21-25-17)18(27)24-15-3-5-16(6-4-15)26-11-20-10-22-26/h3-6,9-13H,2,7-8H2,1H3,(H,21,25)(H,23,28)(H,24,27)
InChIKeyRSFKAJSFUMSVEU-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.24
Rot. Bonds5

About N-[1-oxo-1-[4-(1,2,4-triazol-1-yl)anilino]propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

N-[1-oxo-1-[4-(1,2,4-triazol-1-yl)anilino]propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 167859068) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[1-oxo-1-[4-(1,2,4-triazol-1-yl)anilino]propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[4-(1,2,4-triazol-1-yl)anilino]propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
PubChem CID167859068
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC NameN-[1-oxo-1-[4-(1,2,4-triazol-1-yl)anilino]propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCC(NC(=O)C1CCc2[nH]ncc2C1)C(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H21N7O2/c1-12(23-19(28)13-2-7-17-14(8-13)9-21-25-17)18(27)24-15-3-5-16(6-4-15)26-11-20-10-22-26/h3-6,9-13H,2,7-8H2,1H3,(H,21,25)(H,23,28)(H,24,27)
InChIKeyRSFKAJSFUMSVEU-UHFFFAOYSA-N
XLogP1.24
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[4-(1,2,4-triazol-1-yl)anilino]propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The IUPAC name of N-[1-oxo-1-[4-(1,2,4-triazol-1-yl)anilino]propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (CID 167859068) is N-[1-oxo-1-[4-(1,2,4-triazol-1-yl)anilino]propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[1-oxo-1-[4-(1,2,4-triazol-1-yl)anilino]propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The canonical SMILES for N-[1-oxo-1-[4-(1,2,4-triazol-1-yl)anilino]propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is CC(NC(=O)C1CCc2[nH]ncc2C1)C(=O)Nc1ccc(-n2cncn2)cc1.
What is the InChIKey of N-[1-oxo-1-[4-(1,2,4-triazol-1-yl)anilino]propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The InChIKey is RSFKAJSFUMSVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-12(23-19(28)13-2-7-17-14(8-13)9-21-25-17)18(27)24-15-3-5-16(6-4-15)26-11-20-10-22-26/h3-6,9-13H,2,7-8H2,1H3,(H,21,25)(H,23,28)(H,24,27).
What are the key properties of N-[1-oxo-1-[4-(1,2,4-triazol-1-yl)anilino]propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
N-[1-oxo-1-[4-(1,2,4-triazol-1-yl)anilino]propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[4-(1,2,4-triazol-1-yl)anilino]propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 167859068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).