4-chloro-1-methyl-5-(methylamino)pyrazole-3-carboxamide

C6H9ClN4O — CID 89073520

IUPAC4-chloro-1-methyl-5-(methylamino)pyrazole-3-carboxamide
SMILESCNc1c(Cl)c(C(N)=O)nn1C
InChIInChI=1S/C6H9ClN4O/c1-9-6-3(7)4(5(8)12)10-11(6)2/h9H,1-2H3,(H2,8,12)
InChIKeyYJSOSVWEKKOTMD-UHFFFAOYSA-N
MW188.62 g/mol
LogP0.21
Rot. Bonds2

About 4-chloro-1-methyl-5-(methylamino)pyrazole-3-carboxamide

4-chloro-1-methyl-5-(methylamino)pyrazole-3-carboxamide (PubChem CID 89073520) has the molecular formula C6H9ClN4O and a molecular weight of 188.62 g/mol. Its IUPAC name is 4-chloro-1-methyl-5-(methylamino)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-5-(methylamino)pyrazole-3-carboxamide
PubChem CID89073520
Molecular FormulaC6H9ClN4O
Molecular Weight188.62 g/mol
Exact Mass188.05
IUPAC Name4-chloro-1-methyl-5-(methylamino)pyrazole-3-carboxamide
SMILESCNc1c(Cl)c(C(N)=O)nn1C
InChIInChI=1S/C6H9ClN4O/c1-9-6-3(7)4(5(8)12)10-11(6)2/h9H,1-2H3,(H2,8,12)
InChIKeyYJSOSVWEKKOTMD-UHFFFAOYSA-N
XLogP0.21
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.62
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-5-(methylamino)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-methyl-5-(methylamino)pyrazole-3-carboxamide (CID 89073520) is 4-chloro-1-methyl-5-(methylamino)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-5-(methylamino)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-5-(methylamino)pyrazole-3-carboxamide is CNc1c(Cl)c(C(N)=O)nn1C.
What is the InChIKey of 4-chloro-1-methyl-5-(methylamino)pyrazole-3-carboxamide?
The InChIKey is YJSOSVWEKKOTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4O/c1-9-6-3(7)4(5(8)12)10-11(6)2/h9H,1-2H3,(H2,8,12).
What are the key properties of 4-chloro-1-methyl-5-(methylamino)pyrazole-3-carboxamide?
4-chloro-1-methyl-5-(methylamino)pyrazole-3-carboxamide has a molecular weight of 188.62 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-5-(methylamino)pyrazole-3-carboxamide is sourced from PubChem (CID 89073520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).