3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propanamide

C16H23N5O3 — CID 125167544

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propanamide
SMILESCCn1nc(C)c([C@H](C)NC(=O)CCn2ccc(=O)[nH]c2=O)c1C
InChIInChI=1S/C16H23N5O3/c1-5-21-12(4)15(11(3)19-21)10(2)17-13(22)6-8-20-9-7-14(23)18-16(20)24/h7,9-10H,5-6,8H2,1-4H3,(H,17,22)(H,18,23,24)/t10-/m0/s1
InChIKeyOUGQJFFIHJZMJA-JTQLQIEISA-N
MW333.39 g/mol
LogP0.64
Rot. Bonds6

About 3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propanamide (PubChem CID 125167544) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propanamide
PubChem CID125167544
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propanamide
SMILESCCn1nc(C)c([C@H](C)NC(=O)CCn2ccc(=O)[nH]c2=O)c1C
InChIInChI=1S/C16H23N5O3/c1-5-21-12(4)15(11(3)19-21)10(2)17-13(22)6-8-20-9-7-14(23)18-16(20)24/h7,9-10H,5-6,8H2,1-4H3,(H,17,22)(H,18,23,24)/t10-/m0/s1
InChIKeyOUGQJFFIHJZMJA-JTQLQIEISA-N
XLogP0.64
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propanamide (CID 125167544) is 3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propanamide is CCn1nc(C)c([C@H](C)NC(=O)CCn2ccc(=O)[nH]c2=O)c1C.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propanamide?
The InChIKey is OUGQJFFIHJZMJA-JTQLQIEISA-N. The full InChI is InChI=1S/C16H23N5O3/c1-5-21-12(4)15(11(3)19-21)10(2)17-13(22)6-8-20-9-7-14(23)18-16(20)24/h7,9-10H,5-6,8H2,1-4H3,(H,17,22)(H,18,23,24)/t10-/m0/s1.
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propanamide has a molecular weight of 333.39 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 125167544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).