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

C15H12Cl2N4O — CID 155548799

IUPACN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide
SMILESO=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)c1cccnc1
InChIInChI=1S/C15H12Cl2N4O/c16-12-4-3-11(8-13(12)17)21-7-5-14(20-21)19-15(22)10-2-1-6-18-9-10/h1-4,6,8-9H,5,7H2,(H,19,20,22)
InChIKeyMDEUAVREDZGTHJ-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.34
Rot. Bonds2

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

N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide (PubChem CID 155548799) has the molecular formula C15H12Cl2N4O and a molecular weight of 335.19 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide
PubChem CID155548799
Molecular FormulaC15H12Cl2N4O
Molecular Weight335.19 g/mol
Exact Mass334.04
IUPAC NameN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide
SMILESO=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)c1cccnc1
InChIInChI=1S/C15H12Cl2N4O/c16-12-4-3-11(8-13(12)17)21-7-5-14(20-21)19-15(22)10-2-1-6-18-9-10/h1-4,6,8-9H,5,7H2,(H,19,20,22)
InChIKeyMDEUAVREDZGTHJ-UHFFFAOYSA-N
XLogP3.34
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide (CID 155548799) is N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide is O=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)c1cccnc1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide?
The InChIKey is MDEUAVREDZGTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O/c16-12-4-3-11(8-13(12)17)21-7-5-14(20-21)19-15(22)10-2-1-6-18-9-10/h1-4,6,8-9H,5,7H2,(H,19,20,22).
What are the key properties of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide?
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide has a molecular weight of 335.19 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 155548799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).