2-[[(S)-cyclobutyl(phenyl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C19H26N4O — CID 95312814

IUPAC2-[[(S)-cyclobutyl(phenyl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN[C@H](c1ccccc1)C1CCC1
InChIInChI=1S/C19H26N4O/c1-13-18(14(2)23(3)22-13)21-17(24)12-20-19(16-10-7-11-16)15-8-5-4-6-9-15/h4-6,8-9,16,19-20H,7,10-12H2,1-3H3,(H,21,24)/t19-/m1/s1
InChIKeyUQHRTDTWKFMYFY-LJQANCHMSA-N
MW326.44 g/mol
LogP3.11
Rot. Bonds6

About 2-[[(S)-cyclobutyl(phenyl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[[(S)-cyclobutyl(phenyl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 95312814) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[[(S)-cyclobutyl(phenyl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[[(S)-cyclobutyl(phenyl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID95312814
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-[[(S)-cyclobutyl(phenyl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN[C@H](c1ccccc1)C1CCC1
InChIInChI=1S/C19H26N4O/c1-13-18(14(2)23(3)22-13)21-17(24)12-20-19(16-10-7-11-16)15-8-5-4-6-9-15/h4-6,8-9,16,19-20H,7,10-12H2,1-3H3,(H,21,24)/t19-/m1/s1
InChIKeyUQHRTDTWKFMYFY-LJQANCHMSA-N
XLogP3.11
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110473196
1-[(R)-cyclobutyl(phenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95318618
3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride
CID 119949012
2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide
CID 60712191
2-[[cyclopropyl(phenyl)methyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 112806614
2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8995537
(2R)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]propanoic acid
CID 83193828
2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 97333993
2-[[cyclopropyl(phenyl)methyl]amino]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]acetamide
CID 112806625
3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499
ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate
CID 60811477
4-oxo-4-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide
CID 20969113

Frequently Asked Questions

What is the IUPAC name of 2-[[(S)-cyclobutyl(phenyl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[[(S)-cyclobutyl(phenyl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 95312814) is 2-[[(S)-cyclobutyl(phenyl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[[(S)-cyclobutyl(phenyl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[[(S)-cyclobutyl(phenyl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CN[C@H](c1ccccc1)C1CCC1.
What is the InChIKey of 2-[[(S)-cyclobutyl(phenyl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is UQHRTDTWKFMYFY-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13-18(14(2)23(3)22-13)21-17(24)12-20-19(16-10-7-11-16)15-8-5-4-6-9-15/h4-6,8-9,16,19-20H,7,10-12H2,1-3H3,(H,21,24)/t19-/m1/s1.
What are the key properties of 2-[[(S)-cyclobutyl(phenyl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[[(S)-cyclobutyl(phenyl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(S)-cyclobutyl(phenyl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 95312814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).