3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide

C17H23N5O2 — CID 46982893

IUPAC3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide
SMILESCc1cc(C)n(CCC(=O)N(C)Cc2n[nH]c3c2CCC3)c(=O)n1
InChIInChI=1S/C17H23N5O2/c1-11-9-12(2)22(17(24)18-11)8-7-16(23)21(3)10-15-13-5-4-6-14(13)19-20-15/h9H,4-8,10H2,1-3H3,(H,19,20)
InChIKeyXYRKMYIHTOVUKM-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.12
Rot. Bonds5

About 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide

3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide (PubChem CID 46982893) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide
PubChem CID46982893
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide
SMILESCc1cc(C)n(CCC(=O)N(C)Cc2n[nH]c3c2CCC3)c(=O)n1
InChIInChI=1S/C17H23N5O2/c1-11-9-12(2)22(17(24)18-11)8-7-16(23)21(3)10-15-13-5-4-6-14(13)19-20-15/h9H,4-8,10H2,1-3H3,(H,19,20)
InChIKeyXYRKMYIHTOVUKM-UHFFFAOYSA-N
XLogP1.12
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)-N-methylpropanamide
CID 46990688
N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 56706502
1-(3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one
CID 117611719
1-(3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2,2-dimethylpropan-1-one
CID 117611721
1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one
CID 118489230
2-methyl-1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one
CID 118489285
1-(3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one
CID 118493337
1-(3-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone
CID 163763551
3-[2-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)piperidin-1-yl]propanamide
CID 172702737
3-[1-(3-amino-3-oxopropyl)piperidin-2-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
CID 172767021
3-azocan-1-yl-N-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]propanamide
CID 46984910
3-azocan-1-yl-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropanamide
CID 46987116

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide (CID 46982893) is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide is Cc1cc(C)n(CCC(=O)N(C)Cc2n[nH]c3c2CCC3)c(=O)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide?
The InChIKey is XYRKMYIHTOVUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-9-12(2)22(17(24)18-11)8-7-16(23)21(3)10-15-13-5-4-6-14(13)19-20-15/h9H,4-8,10H2,1-3H3,(H,19,20).
What are the key properties of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide?
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide has a molecular weight of 329.40 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide is sourced from PubChem (CID 46982893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).