N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-4-methylpyrimidine-5-carboxamide

C15H13Cl2N5O — CID 155517148

IUPACN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-4-methylpyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)NC1=NN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H13Cl2N5O/c1-9-11(7-18-8-19-9)15(23)20-14-4-5-22(21-14)10-2-3-12(16)13(17)6-10/h2-3,6-8H,4-5H2,1H3,(H,20,21,23)
InChIKeyJUFHLXVYWRRXEQ-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.05
Rot. Bonds2

About N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-4-methylpyrimidine-5-carboxamide

N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-4-methylpyrimidine-5-carboxamide (PubChem CID 155517148) has the molecular formula C15H13Cl2N5O and a molecular weight of 350.21 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-4-methylpyrimidine-5-carboxamide
PubChem CID155517148
Molecular FormulaC15H13Cl2N5O
Molecular Weight350.21 g/mol
Exact Mass349.05
IUPAC NameN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-4-methylpyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)NC1=NN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H13Cl2N5O/c1-9-11(7-18-8-19-9)15(23)20-14-4-5-22(21-14)10-2-3-12(16)13(17)6-10/h2-3,6-8H,4-5H2,1H3,(H,20,21,23)
InChIKeyJUFHLXVYWRRXEQ-UHFFFAOYSA-N
XLogP3.05
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-4-methyl-2-(methylthio)pyrimidine-5-carboxamide
CID 20899660
2-amino-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 1487911
N-(4-chlorophenyl)-4-methyl-2-(methylthio)pyrimidine-5-carboxamide
CID 20899656
N-(3,4-dichlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097808
2-chloro-N-(3,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 2780275
N-(3,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)nicotinamide
CID 9864300
2-(3-chlorophenylamino)-4-trifluoromethylpyrimidine-5-carboxylic acid N-(cyclobutylmethyl)amide
CID 10045603
2-(3-Chlorophenylamino)-4-trifluoromethylpyrimidine-5-carboxylic acidcyclopentylmethylamide
CID 10318708
2-(3,4-Dichlorophenylamino)-4-trifluoromethylpyrimidine-5-carboxylic acid (tetrahydro-pyran-4-ylmethyl)-amide
CID 10343679
2-(3-Chloro-phenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid(cyclopropylmethyl)-amide
CID 16720933
N-[(4S)-2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide
CID 155518230
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide
CID 155560614

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-4-methylpyrimidine-5-carboxamide (CID 155517148) is N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-4-methylpyrimidine-5-carboxamide is Cc1ncncc1C(=O)NC1=NN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is JUFHLXVYWRRXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5O/c1-9-11(7-18-8-19-9)15(23)20-14-4-5-22(21-14)10-2-3-12(16)13(17)6-10/h2-3,6-8H,4-5H2,1H3,(H,20,21,23).
What are the key properties of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-4-methylpyrimidine-5-carboxamide?
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 350.21 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 155517148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).