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

C14H11Cl2N5O — CID 155560614

IUPACN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide
SMILESO=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)c1cncnc1
InChIInChI=1S/C14H11Cl2N5O/c15-11-2-1-10(5-12(11)16)21-4-3-13(20-21)19-14(22)9-6-17-8-18-7-9/h1-2,5-8H,3-4H2,(H,19,20,22)
InChIKeyKBDSSJUSDVQOHY-UHFFFAOYSA-N
MW336.18 g/mol
LogP2.74
Rot. Bonds2

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

N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide (PubChem CID 155560614) has the molecular formula C14H11Cl2N5O and a molecular weight of 336.18 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide
PubChem CID155560614
Molecular FormulaC14H11Cl2N5O
Molecular Weight336.18 g/mol
Exact Mass335.03
IUPAC NameN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide
SMILESO=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)c1cncnc1
InChIInChI=1S/C14H11Cl2N5O/c15-11-2-1-10(5-12(11)16)21-4-3-13(20-21)19-14(22)9-6-17-8-18-7-9/h1-2,5-8H,3-4H2,(H,19,20,22)
InChIKeyKBDSSJUSDVQOHY-UHFFFAOYSA-N
XLogP2.74
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 52.74
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-[(4S)-2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide
CID 155518230
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
3-[(4-Chloroanilino)methylene]-1-(2-pyrimidinyl)-2-pyrrolidinone
CID 6346340
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide (CID 155560614) is N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide is O=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)c1cncnc1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide?
The InChIKey is KBDSSJUSDVQOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5O/c15-11-2-1-10(5-12(11)16)21-4-3-13(20-21)19-14(22)9-6-17-8-18-7-9/h1-2,5-8H,3-4H2,(H,19,20,22).
What are the key properties of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide?
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide has a molecular weight of 336.18 g/mol, XLogP of 2.74, 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]pyrimidine-5-carboxamide is sourced from PubChem (CID 155560614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).