2-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]acetamide

C16H23N5O2 — CID 138036914

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]acetamide
SMILESCc1cc(C)n(CC(=O)Nc2cnn(C3CCOCC3)c2C)n1
InChIInChI=1S/C16H23N5O2/c1-11-8-12(2)20(19-11)10-16(22)18-15-9-17-21(13(15)3)14-4-6-23-7-5-14/h8-9,14H,4-7,10H2,1-3H3,(H,18,22)
InChIKeyZPDWNUBKTMLPMH-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.00
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]acetamide (PubChem CID 138036914) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]acetamide
PubChem CID138036914
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]acetamide
SMILESCc1cc(C)n(CC(=O)Nc2cnn(C3CCOCC3)c2C)n1
InChIInChI=1S/C16H23N5O2/c1-11-8-12(2)20(19-11)10-16(22)18-15-9-17-21(13(15)3)14-4-6-23-7-5-14/h8-9,14H,4-7,10H2,1-3H3,(H,18,22)
InChIKeyZPDWNUBKTMLPMH-UHFFFAOYSA-N
XLogP2.00
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557477
N-(cyclopropylmethyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55028096
2-(3,5-dimethylpyrazol-1-yl)-N-(2-ethyltriazol-4-yl)acetamide
CID 46990903
4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxybenzoic acid
CID 60827241
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide
CID 110690082
N-(5-bromo-2-methylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43806572
N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-N'-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]oxamide
CID 126818451
N-(3,5-dichloro-2-hydroxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 103891137
N-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 110690077
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525992
2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]oxan-4-yl]acetic acid
CID 119214656
N-(1,5-dimethylpyrazol-4-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521871

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]acetamide (CID 138036914) is 2-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]acetamide is Cc1cc(C)n(CC(=O)Nc2cnn(C3CCOCC3)c2C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]acetamide?
The InChIKey is ZPDWNUBKTMLPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11-8-12(2)20(19-11)10-16(22)18-15-9-17-21(13(15)3)14-4-6-23-7-5-14/h8-9,14H,4-7,10H2,1-3H3,(H,18,22).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 138036914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).