N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-5-yl)acetamide

C13H10Cl2N6O — CID 166225847

IUPACN-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Cc1ccn[nH]1)Nc1cnn(-c2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C13H10Cl2N6O/c14-8-3-11(15)13(16-5-8)21-7-10(6-18-21)19-12(22)4-9-1-2-17-20-9/h1-3,5-7H,4H2,(H,17,20)(H,19,22)
InChIKeyZFZCSBHSIZNHMD-UHFFFAOYSA-N
MW337.17 g/mol
LogP2.48
Rot. Bonds4

About N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-5-yl)acetamide

N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 166225847) has the molecular formula C13H10Cl2N6O and a molecular weight of 337.17 g/mol. Its IUPAC name is N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-5-yl)acetamide
PubChem CID166225847
Molecular FormulaC13H10Cl2N6O
Molecular Weight337.17 g/mol
Exact Mass336.03
IUPAC NameN-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Cc1ccn[nH]1)Nc1cnn(-c2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C13H10Cl2N6O/c14-8-3-11(15)13(16-5-8)21-7-10(6-18-21)19-12(22)4-9-1-2-17-20-9/h1-3,5-7H,4H2,(H,17,20)(H,19,22)
InChIKeyZFZCSBHSIZNHMD-UHFFFAOYSA-N
XLogP2.48
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-5-yl)acetamide (CID 166225847) is N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-5-yl)acetamide is O=C(Cc1ccn[nH]1)Nc1cnn(-c2ncc(Cl)cc2Cl)c1.
What is the InChIKey of N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is ZFZCSBHSIZNHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N6O/c14-8-3-11(15)13(16-5-8)21-7-10(6-18-21)19-12(22)4-9-1-2-17-20-9/h1-3,5-7H,4H2,(H,17,20)(H,19,22).
What are the key properties of N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-5-yl)acetamide?
N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 337.17 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 166225847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).