N-[1-(2-phenylpropan-2-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide

C20H19N5O — CID 71267246

IUPACN-[1-(2-phenylpropan-2-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide
SMILESCC(C)(c1ccccc1)n1cc(NC(=O)c2n[nH]c3ccccc23)cn1
InChIInChI=1S/C20H19N5O/c1-20(2,14-8-4-3-5-9-14)25-13-15(12-21-25)22-19(26)18-16-10-6-7-11-17(16)23-24-18/h3-13H,1-2H3,(H,22,26)(H,23,24)
InChIKeyKXFGZTQASPYTRN-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.80
Rot. Bonds4

About N-[1-(2-phenylpropan-2-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide

N-[1-(2-phenylpropan-2-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide (PubChem CID 71267246) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[1-(2-phenylpropan-2-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-phenylpropan-2-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide
PubChem CID71267246
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[1-(2-phenylpropan-2-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide
SMILESCC(C)(c1ccccc1)n1cc(NC(=O)c2n[nH]c3ccccc23)cn1
InChIInChI=1S/C20H19N5O/c1-20(2,14-8-4-3-5-9-14)25-13-15(12-21-25)22-19(26)18-16-10-6-7-11-17(16)23-24-18/h3-13H,1-2H3,(H,22,26)(H,23,24)
InChIKeyKXFGZTQASPYTRN-UHFFFAOYSA-N
XLogP3.80
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylpropan-2-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-(2-phenylpropan-2-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide (CID 71267246) is N-[1-(2-phenylpropan-2-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-phenylpropan-2-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-(2-phenylpropan-2-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide is CC(C)(c1ccccc1)n1cc(NC(=O)c2n[nH]c3ccccc23)cn1.
What is the InChIKey of N-[1-(2-phenylpropan-2-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide?
The InChIKey is KXFGZTQASPYTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-20(2,14-8-4-3-5-9-14)25-13-15(12-21-25)22-19(26)18-16-10-6-7-11-17(16)23-24-18/h3-13H,1-2H3,(H,22,26)(H,23,24).
What are the key properties of N-[1-(2-phenylpropan-2-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide?
N-[1-(2-phenylpropan-2-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenylpropan-2-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 71267246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).