N-[(4S)-2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide

C15H13Cl2N5O — CID 155518230

IUPACN-[(4S)-2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide
SMILESC[C@H]1CN(c2ccc(Cl)c(Cl)c2)N=C1NC(=O)c1cncnc1
InChIInChI=1S/C15H13Cl2N5O/c1-9-7-22(11-2-3-12(16)13(17)4-11)21-14(9)20-15(23)10-5-18-8-19-6-10/h2-6,8-9H,7H2,1H3,(H,20,21,23)/t9-/m0/s1
InChIKeyLVMIRWYBOWQVFT-VIFPVBQESA-N
MW350.21 g/mol
LogP2.98
Rot. Bonds2

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

N-[(4S)-2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide (PubChem CID 155518230) has the molecular formula C15H13Cl2N5O and a molecular weight of 350.21 g/mol. Its IUPAC name is N-[(4S)-2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4S)-2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide
PubChem CID155518230
Molecular FormulaC15H13Cl2N5O
Molecular Weight350.21 g/mol
Exact Mass349.05
IUPAC NameN-[(4S)-2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide
SMILESC[C@H]1CN(c2ccc(Cl)c(Cl)c2)N=C1NC(=O)c1cncnc1
InChIInChI=1S/C15H13Cl2N5O/c1-9-7-22(11-2-3-12(16)13(17)4-11)21-14(9)20-15(23)10-5-18-8-19-6-10/h2-6,8-9H,7H2,1H3,(H,20,21,23)/t9-/m0/s1
InChIKeyLVMIRWYBOWQVFT-VIFPVBQESA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097808
(2-(4-Chlorophenylamino)pyrimidin-5-yl)(3-methylpiperidin-1-yl)methanone
CID 46226043
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide
CID 155560614
N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2226541
N-(3,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4151654
2-chloro-N-(3,4,5-trichlorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10549239
N-(4-chlorophenyl)-4-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
CID 44443795
4-(azetidin-1-yl)-2-(3-chloroanilino)-N-(cyclobutylmethyl)pyrimidine-5-carboxamide
CID 44528748
4-amino-2-(3-chloroanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 44529119
2-chloro-N-(3,5-dichlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 118716125
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-4-methylpyrimidine-5-carboxamide
CID 155517148
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide
CID 155537965

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-[(4S)-2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide (CID 155518230) is N-[(4S)-2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4S)-2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(4S)-2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide is C[C@H]1CN(c2ccc(Cl)c(Cl)c2)N=C1NC(=O)c1cncnc1.
What is the InChIKey of N-[(4S)-2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide?
The InChIKey is LVMIRWYBOWQVFT-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13Cl2N5O/c1-9-7-22(11-2-3-12(16)13(17)4-11)21-14(9)20-15(23)10-5-18-8-19-6-10/h2-6,8-9H,7H2,1H3,(H,20,21,23)/t9-/m0/s1.
What are the key properties of N-[(4S)-2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide?
N-[(4S)-2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide has a molecular weight of 350.21 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 155518230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).