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

C20H23N5O — CID 121112542

IUPAC4-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide
SMILESCc1nn(-c2ncc(NC(=O)CCCc3ccccc3)cn2)c(C)c1C
InChIInChI=1S/C20H23N5O/c1-14-15(2)24-25(16(14)3)20-21-12-18(13-22-20)23-19(26)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,23,26)
InChIKeyBAWBCDKMPHQHQH-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.55
Rot. Bonds6

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

4-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide (PubChem CID 121112542) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide.

Molecular Properties

Compound Name4-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide
PubChem CID121112542
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name4-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide
SMILESCc1nn(-c2ncc(NC(=O)CCCc3ccccc3)cn2)c(C)c1C
InChIInChI=1S/C20H23N5O/c1-14-15(2)24-25(16(14)3)20-21-12-18(13-22-20)23-19(26)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,23,26)
InChIKeyBAWBCDKMPHQHQH-UHFFFAOYSA-N
XLogP3.55
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide
CID 121112541
N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4-phenylbutanamide
CID 121112648
4-phenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide
CID 122305786
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
N-(6-fluoro-3-pyridinyl)-4-phenylbutanamide
CID 103789587
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794
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
N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926
4-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)butanamide
CID 78883201

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide?
The IUPAC name of 4-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide (CID 121112542) is 4-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide.
What is the SMILES notation for 4-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide?
The canonical SMILES for 4-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide is Cc1nn(-c2ncc(NC(=O)CCCc3ccccc3)cn2)c(C)c1C.
What is the InChIKey of 4-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide?
The InChIKey is BAWBCDKMPHQHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-15(2)24-25(16(14)3)20-21-12-18(13-22-20)23-19(26)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,23,26).
What are the key properties of 4-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide?
4-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide has a molecular weight of 349.44 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide is sourced from PubChem (CID 121112542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).