N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylpyrimidine-5-carboxamide

C17H16ClN5O — CID 75472314

IUPACN-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2)c(C)n1
InChIInChI=1S/C17H16ClN5O/c1-11-15(9-19-12(2)21-11)17(24)22-16-6-7-20-23(16)10-13-4-3-5-14(18)8-13/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyXSRUMDIUPZTBGK-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.24
Rot. Bonds4

About N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylpyrimidine-5-carboxamide

N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylpyrimidine-5-carboxamide (PubChem CID 75472314) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylpyrimidine-5-carboxamide
PubChem CID75472314
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC NameN-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2)c(C)n1
InChIInChI=1S/C17H16ClN5O/c1-11-15(9-19-12(2)21-11)17(24)22-16-6-7-20-23(16)10-13-4-3-5-14(18)8-13/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyXSRUMDIUPZTBGK-UHFFFAOYSA-N
XLogP3.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylpyrimidine-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

Related Compounds

3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 17464648
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]thiadiazole-5-carboxamide
CID 51090020
2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 17468468
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-ethoxybenzamide
CID 26725871
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18127011
ethyl 6-[[2-[(3-bromophenyl)methyl]pyrazol-3-yl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55776554
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chlorobenzamide
CID 7504732
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[(4-cyanophenyl)methylsulfanyl]acetamide
CID 71941114
(E)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(furan-2-yl)prop-2-enamide
CID 17482295
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 18127266
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide
CID 26725865
N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
CID 7589760

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylpyrimidine-5-carboxamide (CID 75472314) is N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylpyrimidine-5-carboxamide is Cc1ncc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2)c(C)n1.
What is the InChIKey of N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylpyrimidine-5-carboxamide?
The InChIKey is XSRUMDIUPZTBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-11-15(9-19-12(2)21-11)17(24)22-16-6-7-20-23(16)10-13-4-3-5-14(18)8-13/h3-9H,10H2,1-2H3,(H,22,24).
What are the key properties of N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylpyrimidine-5-carboxamide?
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylpyrimidine-5-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 75472314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).