N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide

C19H22N6O2 — CID 97264761

IUPACN-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2n[nH]c([C@@H]3CCCO3)n2)n(-c2ccccc2)n1
InChIInChI=1S/C19H22N6O2/c1-12(2)14-11-15(25(24-14)13-7-4-3-5-8-13)18(26)21-19-20-17(22-23-19)16-9-6-10-27-16/h3-5,7-8,11-12,16H,6,9-10H2,1-2H3,(H2,20,21,22,23,26)/t16-/m0/s1
InChIKeyZFNLKYGQGAPJLB-INIZCTEOSA-N
MW366.43 g/mol
LogP3.22
Rot. Bonds5

About N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide

N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 97264761) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID97264761
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2n[nH]c([C@@H]3CCCO3)n2)n(-c2ccccc2)n1
InChIInChI=1S/C19H22N6O2/c1-12(2)14-11-15(25(24-14)13-7-4-3-5-8-13)18(26)21-19-20-17(22-23-19)16-9-6-10-27-16/h3-5,7-8,11-12,16H,6,9-10H2,1-2H3,(H2,20,21,22,23,26)/t16-/m0/s1
InChIKeyZFNLKYGQGAPJLB-INIZCTEOSA-N
XLogP3.22
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide (CID 97264761) is N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide is CC(C)c1cc(C(=O)Nc2n[nH]c([C@@H]3CCCO3)n2)n(-c2ccccc2)n1.
What is the InChIKey of N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is ZFNLKYGQGAPJLB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-12(2)14-11-15(25(24-14)13-7-4-3-5-8-13)18(26)21-19-20-17(22-23-19)16-9-6-10-27-16/h3-5,7-8,11-12,16H,6,9-10H2,1-2H3,(H2,20,21,22,23,26)/t16-/m0/s1.
What are the key properties of N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 97264761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).