7-(2,5-dichlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H10Cl2N4O — CID 14501858

IUPAC7-(2,5-dichlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2c(-c3cc(Cl)ccc3Cl)ccnc2c1C(N)=O
InChIInChI=1S/C14H10Cl2N4O/c1-7-12(13(17)21)14-18-5-4-11(20(14)19-7)9-6-8(15)2-3-10(9)16/h2-6H,1H3,(H2,17,21)
InChIKeyKUNVUVMAYULPOI-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.11
Rot. Bonds2

About 7-(2,5-dichlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(2,5-dichlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 14501858) has the molecular formula C14H10Cl2N4O and a molecular weight of 321.17 g/mol. Its IUPAC name is 7-(2,5-dichlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(2,5-dichlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID14501858
Molecular FormulaC14H10Cl2N4O
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name7-(2,5-dichlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2c(-c3cc(Cl)ccc3Cl)ccnc2c1C(N)=O
InChIInChI=1S/C14H10Cl2N4O/c1-7-12(13(17)21)14-18-5-4-11(20(14)19-7)9-6-8(15)2-3-10(9)16/h2-6H,1H3,(H2,17,21)
InChIKeyKUNVUVMAYULPOI-UHFFFAOYSA-N
XLogP3.11
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,5-dichlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(2,5-dichlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 14501858) is 7-(2,5-dichlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(2,5-dichlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(2,5-dichlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2c(-c3cc(Cl)ccc3Cl)ccnc2c1C(N)=O.
What is the InChIKey of 7-(2,5-dichlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KUNVUVMAYULPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O/c1-7-12(13(17)21)14-18-5-4-11(20(14)19-7)9-6-8(15)2-3-10(9)16/h2-6H,1H3,(H2,17,21).
What are the key properties of 7-(2,5-dichlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(2,5-dichlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 321.17 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dichlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 14501858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).