3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide

C19H21N5O — CID 121112541

IUPAC3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide
SMILESCc1nn(-c2ncc(NC(=O)CCc3ccccc3)cn2)c(C)c1C
InChIInChI=1S/C19H21N5O/c1-13-14(2)23-24(15(13)3)19-20-11-17(12-21-19)22-18(25)10-9-16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3,(H,22,25)
InChIKeyYWUBYEBNXSDBTK-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.16
Rot. Bonds5

About 3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide

3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide (PubChem CID 121112541) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide
PubChem CID121112541
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide
SMILESCc1nn(-c2ncc(NC(=O)CCc3ccccc3)cn2)c(C)c1C
InChIInChI=1S/C19H21N5O/c1-13-14(2)23-24(15(13)3)19-20-11-17(12-21-19)22-18(25)10-9-16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3,(H,22,25)
InChIKeyYWUBYEBNXSDBTK-UHFFFAOYSA-N
XLogP3.16
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide
CID 121112542
2-(4-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 121112540
2-(1,3-benzodioxol-5-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 122300676
2-[methyl(methylsulfonyl)amino]-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 122300670
2,6-difluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 71789825
N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4-phenylbutanamide
CID 121112648
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
3-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
CID 122323629
3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499
4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]thiadiazole-5-carboxamide
CID 71789831
3-bromo-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300762
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide?
The IUPAC name of 3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide (CID 121112541) is 3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide.
What is the SMILES notation for 3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide?
The canonical SMILES for 3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide is Cc1nn(-c2ncc(NC(=O)CCc3ccccc3)cn2)c(C)c1C.
What is the InChIKey of 3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide?
The InChIKey is YWUBYEBNXSDBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-14(2)23-24(15(13)3)19-20-11-17(12-21-19)22-18(25)10-9-16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3,(H,22,25).
What are the key properties of 3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide?
3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide has a molecular weight of 335.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide is sourced from PubChem (CID 121112541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).