N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C14H20ClN5O2 — CID 56720164

IUPACN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCCn2nc(C)c(Cl)c2C)C(C)NC(=O)N1
InChIInChI=1S/C14H20ClN5O2/c1-7-11(8(2)18-14(22)17-7)13(21)16-5-6-20-10(4)12(15)9(3)19-20/h7H,5-6H2,1-4H3,(H,16,21)(H2,17,18,22)
InChIKeyKXADENMCDXYEOU-UHFFFAOYSA-N
MW325.80 g/mol
LogP1.24
Rot. Bonds4

About N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 56720164) has the molecular formula C14H20ClN5O2 and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID56720164
Molecular FormulaC14H20ClN5O2
Molecular Weight325.80 g/mol
Exact Mass325.13
IUPAC NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCCn2nc(C)c(Cl)c2C)C(C)NC(=O)N1
InChIInChI=1S/C14H20ClN5O2/c1-7-11(8(2)18-14(22)17-7)13(21)16-5-6-20-10(4)12(15)9(3)19-20/h7H,5-6H2,1-4H3,(H,16,21)(H2,17,18,22)
InChIKeyKXADENMCDXYEOU-UHFFFAOYSA-N
XLogP1.24
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 56720164) is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)NCCn2nc(C)c(Cl)c2C)C(C)NC(=O)N1.
What is the InChIKey of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is KXADENMCDXYEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O2/c1-7-11(8(2)18-14(22)17-7)13(21)16-5-6-20-10(4)12(15)9(3)19-20/h7H,5-6H2,1-4H3,(H,16,21)(H2,17,18,22).
What are the key properties of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56720164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).