N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C18H20FN5O2 — CID 56711974

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)N(C)Cc2cn[nH]c2-c2ccc(F)cc2)C(C)NC(=O)N1
InChIInChI=1S/C18H20FN5O2/c1-10-15(11(2)22-18(26)21-10)17(25)24(3)9-13-8-20-23-16(13)12-4-6-14(19)7-5-12/h4-8,10H,9H2,1-3H3,(H,20,23)(H2,21,22,26)
InChIKeyYJHRGAGBTZWTTL-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.15
Rot. Bonds4

About N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 56711974) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID56711974
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)N(C)Cc2cn[nH]c2-c2ccc(F)cc2)C(C)NC(=O)N1
InChIInChI=1S/C18H20FN5O2/c1-10-15(11(2)22-18(26)21-10)17(25)24(3)9-13-8-20-23-16(13)12-4-6-14(19)7-5-12/h4-8,10H,9H2,1-3H3,(H,20,23)(H2,21,22,26)
InChIKeyYJHRGAGBTZWTTL-UHFFFAOYSA-N
XLogP2.15
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 56711974) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)N(C)Cc2cn[nH]c2-c2ccc(F)cc2)C(C)NC(=O)N1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is YJHRGAGBTZWTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-10-15(11(2)22-18(26)21-10)17(25)24(3)9-13-8-20-23-16(13)12-4-6-14(19)7-5-12/h4-8,10H,9H2,1-3H3,(H,20,23)(H2,21,22,26).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56711974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).