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

C14H10Cl3N5O — CID 177061825

IUPAC2-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide
SMILESO=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)c1cnc(Cl)nc1
InChIInChI=1S/C14H10Cl3N5O/c15-10-2-1-9(5-11(10)16)22-4-3-12(21-22)20-13(23)8-6-18-14(17)19-7-8/h1-2,5-7H,3-4H2,(H,20,21,23)
InChIKeyBURDGSFOALYOQR-UHFFFAOYSA-N
MW370.63 g/mol
LogP3.39
Rot. Bonds2

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

2-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide (PubChem CID 177061825) has the molecular formula C14H10Cl3N5O and a molecular weight of 370.63 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide
PubChem CID177061825
Molecular FormulaC14H10Cl3N5O
Molecular Weight370.63 g/mol
Exact Mass369.00
IUPAC Name2-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide
SMILESO=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)c1cnc(Cl)nc1
InChIInChI=1S/C14H10Cl3N5O/c15-10-2-1-9(5-11(10)16)22-4-3-12(21-22)20-13(23)8-6-18-14(17)19-7-8/h1-2,5-7H,3-4H2,(H,20,21,23)
InChIKeyBURDGSFOALYOQR-UHFFFAOYSA-N
XLogP3.39
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.63
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]benzamide
CID 15580737
6-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 177062253
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2,5-dihydro-1H-pyrrole-3-carboxamide
CID 177062079
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-pyridin-2-ylacetamide
CID 177062026
3-[2-[2-[2-[3-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 177062315
3-[2-[2-[3-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoic acid
CID 177062058
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperazine-2-carboxamide
CID 177062410
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-5-methylheptanamide
CID 177135458
CID 177061894
CID 177061894
2-[2-[[4-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]amino]-4-oxobutyl]amino]-2-oxoethoxy]acetyl iodide
CID 177062094
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[methyl(piperidin-3-yl)amino]acetamide
CID 177062049
N-[2-(3-chloro-4-methylphenyl)-3,4-dihydropyrazol-5-yl]formamide
CID 177061778

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide (CID 177061825) is 2-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide is O=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide?
The InChIKey is BURDGSFOALYOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N5O/c15-10-2-1-9(5-11(10)16)22-4-3-12(21-22)20-13(23)8-6-18-14(17)19-7-8/h1-2,5-7H,3-4H2,(H,20,21,23).
What are the key properties of 2-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide?
2-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide has a molecular weight of 370.63 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 177061825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).