N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,6-dimethoxypyrimidine-4-carboxamide

C19H20FN5O3 — CID 46969103

IUPACN-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,6-dimethoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCc2c(C)nn(-c3ccc(F)cc3)c2C)nc(OC)n1
InChIInChI=1S/C19H20FN5O3/c1-11-15(12(2)25(24-11)14-7-5-13(20)6-8-14)10-21-18(26)16-9-17(27-3)23-19(22-16)28-4/h5-9H,10H2,1-4H3,(H,21,26)
InChIKeyFPGSSADTPPBJCX-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.37
Rot. Bonds6

About N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,6-dimethoxypyrimidine-4-carboxamide

N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,6-dimethoxypyrimidine-4-carboxamide (PubChem CID 46969103) has the molecular formula C19H20FN5O3 and a molecular weight of 385.40 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,6-dimethoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,6-dimethoxypyrimidine-4-carboxamide
PubChem CID46969103
Molecular FormulaC19H20FN5O3
Molecular Weight385.40 g/mol
Exact Mass385.16
IUPAC NameN-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,6-dimethoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCc2c(C)nn(-c3ccc(F)cc3)c2C)nc(OC)n1
InChIInChI=1S/C19H20FN5O3/c1-11-15(12(2)25(24-11)14-7-5-13(20)6-8-14)10-21-18(26)16-9-17(27-3)23-19(22-16)28-4/h5-9H,10H2,1-4H3,(H,21,26)
InChIKeyFPGSSADTPPBJCX-UHFFFAOYSA-N
XLogP2.37
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,6-dimethoxypyrimidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514464
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 131944912
2-(ethylamino)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidine-5-carboxamide
CID 72856313
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 25106744
1-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]isoquinoline-3-carboxamide
CID 55668901
2-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 25024355
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxy-4-methylbenzamide
CID 8531518
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]butanamide
CID 51593677
N-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86997975
N-[2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]-2-methylpropanamide
CID 47044914
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-fluoro-4-methylbenzamide
CID 8531507
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277385

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,6-dimethoxypyrimidine-4-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,6-dimethoxypyrimidine-4-carboxamide (CID 46969103) is N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,6-dimethoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,6-dimethoxypyrimidine-4-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,6-dimethoxypyrimidine-4-carboxamide is COc1cc(C(=O)NCc2c(C)nn(-c3ccc(F)cc3)c2C)nc(OC)n1.
What is the InChIKey of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,6-dimethoxypyrimidine-4-carboxamide?
The InChIKey is FPGSSADTPPBJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3/c1-11-15(12(2)25(24-11)14-7-5-13(20)6-8-14)10-21-18(26)16-9-17(27-3)23-19(22-16)28-4/h5-9H,10H2,1-4H3,(H,21,26).
What are the key properties of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,6-dimethoxypyrimidine-4-carboxamide?
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,6-dimethoxypyrimidine-4-carboxamide has a molecular weight of 385.40 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,6-dimethoxypyrimidine-4-carboxamide is sourced from PubChem (CID 46969103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).