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

C20H23N5O — CID 122300594

IUPAC2-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide
SMILESCCC(C(=O)Nc1cnc(-n2nc(C)c(C)c2C)nc1)c1ccccc1
InChIInChI=1S/C20H23N5O/c1-5-18(16-9-7-6-8-10-16)19(26)23-17-11-21-20(22-12-17)25-15(4)13(2)14(3)24-25/h6-12,18H,5H2,1-4H3,(H,23,26)
InChIKeyQYARMUFNAXRJOM-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.72
Rot. Bonds5

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

2-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide (PubChem CID 122300594) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide.

Molecular Properties

Compound Name2-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide
PubChem CID122300594
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide
SMILESCCC(C(=O)Nc1cnc(-n2nc(C)c(C)c2C)nc1)c1ccccc1
InChIInChI=1S/C20H23N5O/c1-5-18(16-9-7-6-8-10-16)19(26)23-17-11-21-20(22-12-17)25-15(4)13(2)14(3)24-25/h6-12,18H,5H2,1-4H3,(H,23,26)
InChIKeyQYARMUFNAXRJOM-UHFFFAOYSA-N
XLogP3.72
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.72
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
4-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide
CID 121112542
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
2,6-difluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 71789825
2-(4-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 121112540
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide
CID 51327852
2-phenyl-N-pyridin-1-ium-4-ylbutanamide
CID 3621180
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
1-(2-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropane-1-carboxamide
CID 122300603
(2S)-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylbutanamide
CID 1026845

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide?
The IUPAC name of 2-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide (CID 122300594) is 2-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide.
What is the SMILES notation for 2-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide?
The canonical SMILES for 2-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide is CCC(C(=O)Nc1cnc(-n2nc(C)c(C)c2C)nc1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide?
The InChIKey is QYARMUFNAXRJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-5-18(16-9-7-6-8-10-16)19(26)23-17-11-21-20(22-12-17)25-15(4)13(2)14(3)24-25/h6-12,18H,5H2,1-4H3,(H,23,26).
What are the key properties of 2-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide?
2-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide has a molecular weight of 349.44 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide is sourced from PubChem (CID 122300594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).