N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide

C20H19N5O — CID 71267305

IUPACN-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
SMILESCC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3ccccc23)cn1
InChIInChI=1S/C20H19N5O/c1-2-18(14-8-4-3-5-9-14)25-13-15(12-21-25)22-20(26)19-16-10-6-7-11-17(16)23-24-19/h3-13,18H,2H2,1H3,(H,22,26)(H,23,24)/t18-/m0/s1
InChIKeyJTAYXEIAILELHC-SFHVURJKSA-N
MW345.41 g/mol
LogP4.01
Rot. Bonds5

About N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide

N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide (PubChem CID 71267305) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
PubChem CID71267305
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
SMILESCC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3ccccc23)cn1
InChIInChI=1S/C20H19N5O/c1-2-18(14-8-4-3-5-9-14)25-13-15(12-21-25)22-20(26)19-16-10-6-7-11-17(16)23-24-19/h3-13,18H,2H2,1H3,(H,22,26)(H,23,24)/t18-/m0/s1
InChIKeyJTAYXEIAILELHC-SFHVURJKSA-N
XLogP4.01
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide (CID 71267305) is N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide is CC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3ccccc23)cn1.
What is the InChIKey of N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The InChIKey is JTAYXEIAILELHC-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19N5O/c1-2-18(14-8-4-3-5-9-14)25-13-15(12-21-25)22-20(26)19-16-10-6-7-11-17(16)23-24-19/h3-13,18H,2H2,1H3,(H,22,26)(H,23,24)/t18-/m0/s1.
What are the key properties of N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 71267305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).