4-chloro-1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide

C10H11ClN4O2 — CID 841521

IUPAC4-chloro-1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2c(Cl)c(C)nn2C)no1
InChIInChI=1S/C10H11ClN4O2/c1-5-4-7(14-17-5)12-10(16)9-8(11)6(2)13-15(9)3/h4H,1-3H3,(H,12,14,16)
InChIKeyMPJOCBDGAGDIAN-UHFFFAOYSA-N
MW254.68 g/mol
LogP1.93
Rot. Bonds2

About 4-chloro-1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide

4-chloro-1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide (PubChem CID 841521) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 4-chloro-1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide
PubChem CID841521
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name4-chloro-1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2c(Cl)c(C)nn2C)no1
InChIInChI=1S/C10H11ClN4O2/c1-5-4-7(14-17-5)12-10(16)9-8(11)6(2)13-15(9)3/h4H,1-3H3,(H,12,14,16)
InChIKeyMPJOCBDGAGDIAN-UHFFFAOYSA-N
XLogP1.93
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide (CID 841521) is 4-chloro-1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide is Cc1cc(NC(=O)c2c(Cl)c(C)nn2C)no1.
What is the InChIKey of 4-chloro-1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide?
The InChIKey is MPJOCBDGAGDIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-5-4-7(14-17-5)12-10(16)9-8(11)6(2)13-15(9)3/h4H,1-3H3,(H,12,14,16).
What are the key properties of 4-chloro-1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide?
4-chloro-1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide has a molecular weight of 254.68 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 841521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).