N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide

C16H23N5O3 — CID 91761725

IUPACN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
SMILESCCCn1nc(C)c(CNC(=O)CCn2ccc(=O)[nH]c2=O)c1C
InChIInChI=1S/C16H23N5O3/c1-4-7-21-12(3)13(11(2)19-21)10-17-14(22)5-8-20-9-6-15(23)18-16(20)24/h6,9H,4-5,7-8,10H2,1-3H3,(H,17,22)(H,18,23,24)
InChIKeyYMQNQQRVZBAOTL-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.47
Rot. Bonds7

About N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide

N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide (PubChem CID 91761725) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
PubChem CID91761725
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC NameN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
SMILESCCCn1nc(C)c(CNC(=O)CCn2ccc(=O)[nH]c2=O)c1C
InChIInChI=1S/C16H23N5O3/c1-4-7-21-12(3)13(11(2)19-21)10-17-14(22)5-8-20-9-6-15(23)18-16(20)24/h6,9H,4-5,7-8,10H2,1-3H3,(H,17,22)(H,18,23,24)
InChIKeyYMQNQQRVZBAOTL-UHFFFAOYSA-N
XLogP0.47
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propanamide
CID 125167544
3-(2,4-dioxopyrimidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 108810774
3-(2,4-dioxopyrimidin-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 91789350
3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide
CID 100981619
4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]butanoic acid
CID 108788657
N-(4,6-dimethylpyrimidin-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108801533
N-[4-(diethylamino)phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 35569669
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 72939783
6-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]hexanoic acid
CID 108788654
ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-2-phenylacetate
CID 108801666
3-(2,4-dioxopyrimidin-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
CID 91778461
2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 108801599

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The IUPAC name of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide (CID 91761725) is N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide is CCCn1nc(C)c(CNC(=O)CCn2ccc(=O)[nH]c2=O)c1C.
What is the InChIKey of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The InChIKey is YMQNQQRVZBAOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-4-7-21-12(3)13(11(2)19-21)10-17-14(22)5-8-20-9-6-15(23)18-16(20)24/h6,9H,4-5,7-8,10H2,1-3H3,(H,17,22)(H,18,23,24).
What are the key properties of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide has a molecular weight of 333.39 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 91761725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).