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

C19H20ClN5O2 — CID 135885928

IUPACN-(4-chlorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccc(Cl)cc3)c2C)n1
InChIInChI=1S/C19H20ClN5O2/c1-11-10-18(27)23-19(21-11)25-13(3)16(12(2)24-25)8-9-17(26)22-15-6-4-14(20)5-7-15/h4-7,10H,8-9H2,1-3H3,(H,22,26)(H,21,23,27)
InChIKeyZAIYBBDZRVKZFT-UHFFFAOYSA-N
MW385.86 g/mol
LogP3.11
Rot. Bonds5

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

N-(4-chlorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide (PubChem CID 135885928) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide
PubChem CID135885928
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC NameN-(4-chlorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccc(Cl)cc3)c2C)n1
InChIInChI=1S/C19H20ClN5O2/c1-11-10-18(27)23-19(21-11)25-13(3)16(12(2)24-25)8-9-17(26)22-15-6-4-14(20)5-7-15/h4-7,10H,8-9H2,1-3H3,(H,22,26)(H,21,23,27)
InChIKeyZAIYBBDZRVKZFT-UHFFFAOYSA-N
XLogP3.11
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(4-chlorophenyl)acetamide
CID 11046825
2-(3-(3-tert-butyl-5-(3-(4-chlorophenyl)ureido)-1H-pyrazol-1-yl)phenyl)acetamide
CID 21867334
3-chloro-N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135753078
4-chloro-N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135753079
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl]-N-(2-fluorophenyl)propanamide
CID 135885893
N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl]propanamide
CID 135885898
N-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl]propanamide
CID 135885934
(4-Chloro-phenyl)-(3-methyl-5-phenylamino-pyrazol-1-yl)-methanone
CID 811890
Sdccgsbi-0660802.P001
CID 135519888
N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide
CID 135731891
1-(4-chlorophenyl)-N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 135752976
N-(1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-3-phenylpropanamide
CID 135857471

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide (CID 135885928) is N-(4-chlorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide is Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccc(Cl)cc3)c2C)n1.
What is the InChIKey of N-(4-chlorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide?
The InChIKey is ZAIYBBDZRVKZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-11-10-18(27)23-19(21-11)25-13(3)16(12(2)24-25)8-9-17(26)22-15-6-4-14(20)5-7-15/h4-7,10H,8-9H2,1-3H3,(H,22,26)(H,21,23,27).
What are the key properties of N-(4-chlorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide?
N-(4-chlorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide has a molecular weight of 385.86 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 135885928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).