3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(3-propan-2-yloxypropyl)propanamide

C19H29N5O3 — CID 135885917

IUPAC3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(3-propan-2-yloxypropyl)propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NCCCOC(C)C)c2C)n1
InChIInChI=1S/C19H29N5O3/c1-12(2)27-10-6-9-20-17(25)8-7-16-14(4)23-24(15(16)5)19-21-13(3)11-18(26)22-19/h11-12H,6-10H2,1-5H3,(H,20,25)(H,21,22,26)
InChIKeyDLSIUQAMPIVFBE-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.74
Rot. Bonds9

About 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(3-propan-2-yloxypropyl)propanamide

3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 135885917) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID135885917
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(3-propan-2-yloxypropyl)propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NCCCOC(C)C)c2C)n1
InChIInChI=1S/C19H29N5O3/c1-12(2)27-10-6-9-20-17(25)8-7-16-14(4)23-24(15(16)5)19-21-13(3)11-18(26)22-19/h11-12H,6-10H2,1-5H3,(H,20,25)(H,21,22,26)
InChIKeyDLSIUQAMPIVFBE-UHFFFAOYSA-N
XLogP1.74
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(3-propan-2-yloxypropyl)propanamide (CID 135885917) is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(3-propan-2-yloxypropyl)propanamide is Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NCCCOC(C)C)c2C)n1.
What is the InChIKey of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is DLSIUQAMPIVFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-12(2)27-10-6-9-20-17(25)8-7-16-14(4)23-24(15(16)5)19-21-13(3)11-18(26)22-19/h11-12H,6-10H2,1-5H3,(H,20,25)(H,21,22,26).
What are the key properties of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(3-propan-2-yloxypropyl)propanamide?
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 375.47 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 135885917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).