N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide

C19H20ClN5O2 — CID 46988453

IUPACN-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)NCc2cn[nH]c2-c2ccc(Cl)cc2)c(=O)n1
InChIInChI=1S/C19H20ClN5O2/c1-12-9-13(2)25(19(27)23-12)8-7-17(26)21-10-15-11-22-24-18(15)14-3-5-16(20)6-4-14/h3-6,9,11H,7-8,10H2,1-2H3,(H,21,26)(H,22,24)
InChIKeySFDSZDLHAZQFQK-UHFFFAOYSA-N
MW385.86 g/mol
LogP2.61
Rot. Bonds6

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

N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide (PubChem CID 46988453) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide
PubChem CID46988453
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC NameN-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)NCc2cn[nH]c2-c2ccc(Cl)cc2)c(=O)n1
InChIInChI=1S/C19H20ClN5O2/c1-12-9-13(2)25(19(27)23-12)8-7-17(26)21-10-15-11-22-24-18(15)14-3-5-16(20)6-4-14/h3-6,9,11H,7-8,10H2,1-2H3,(H,21,26)(H,22,24)
InChIKeySFDSZDLHAZQFQK-UHFFFAOYSA-N
XLogP2.61
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide (CID 46988453) is N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide is Cc1cc(C)n(CCC(=O)NCc2cn[nH]c2-c2ccc(Cl)cc2)c(=O)n1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide?
The InChIKey is SFDSZDLHAZQFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-12-9-13(2)25(19(27)23-12)8-7-17(26)21-10-15-11-22-24-18(15)14-3-5-16(20)6-4-14/h3-6,9,11H,7-8,10H2,1-2H3,(H,21,26)(H,22,24).
What are the key properties of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide?
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide has a molecular weight of 385.86 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 46988453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).