N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide

C19H24N6O2 — CID 171139098

IUPACN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide
SMILESCCC(Oc1ncn(-c2ccccc2)n1)C(=O)Nc1cc(C)nn1C(C)C
InChIInChI=1S/C19H24N6O2/c1-5-16(18(26)21-17-11-14(4)22-25(17)13(2)3)27-19-20-12-24(23-19)15-9-7-6-8-10-15/h6-13,16H,5H2,1-4H3,(H,21,26)
InChIKeyKPXGJQRFYOGSEA-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.15
Rot. Bonds7

About N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide

N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide (PubChem CID 171139098) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide.

Molecular Properties

Compound NameN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide
PubChem CID171139098
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide
SMILESCCC(Oc1ncn(-c2ccccc2)n1)C(=O)Nc1cc(C)nn1C(C)C
InChIInChI=1S/C19H24N6O2/c1-5-16(18(26)21-17-11-14(4)22-25(17)13(2)3)27-19-20-12-24(23-19)15-9-7-6-8-10-15/h6-13,16H,5H2,1-4H3,(H,21,26)
InChIKeyKPXGJQRFYOGSEA-UHFFFAOYSA-N
XLogP3.15
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide
CID 171139086
2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pentanoic acid
CID 83037445
N-(4-methyl-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138623
N-(2-phenylethyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138644
N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138634
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138612
(2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 100830106
phenyl N-(3-ethyl-1-propan-2-ylpyrazol-5-yl)carbamate
CID 69410368
N-[3-(2-methoxyphenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 171138808
(2S)-2-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)propanamide
CID 46999276
N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 18134460
(2R)-2-phenoxy-N-pyrimidin-2-ylbutanamide
CID 873676

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide?
The IUPAC name of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide (CID 171139098) is N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide.
What is the SMILES notation for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide?
The canonical SMILES for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide is CCC(Oc1ncn(-c2ccccc2)n1)C(=O)Nc1cc(C)nn1C(C)C.
What is the InChIKey of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide?
The InChIKey is KPXGJQRFYOGSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-5-16(18(26)21-17-11-14(4)22-25(17)13(2)3)27-19-20-12-24(23-19)15-9-7-6-8-10-15/h6-13,16H,5H2,1-4H3,(H,21,26).
What are the key properties of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide?
N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide has a molecular weight of 368.44 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide is sourced from PubChem (CID 171139098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).