N-(3-carbamoyl-1-ethylpyrazol-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide

C13H18N6O2 — CID 4772788

IUPACN-(3-carbamoyl-1-ethylpyrazol-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCCn1cc(NC(=O)c2c(C)nn(C)c2C)c(C(N)=O)n1
InChIInChI=1S/C13H18N6O2/c1-5-19-6-9(11(17-19)12(14)20)15-13(21)10-7(2)16-18(4)8(10)3/h6H,5H2,1-4H3,(H2,14,20)(H,15,21)
InChIKeyDVSNJMALQMMBOV-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.60
Rot. Bonds4

About N-(3-carbamoyl-1-ethylpyrazol-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(3-carbamoyl-1-ethylpyrazol-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 4772788) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is N-(3-carbamoyl-1-ethylpyrazol-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-1-ethylpyrazol-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID4772788
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC NameN-(3-carbamoyl-1-ethylpyrazol-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCCn1cc(NC(=O)c2c(C)nn(C)c2C)c(C(N)=O)n1
InChIInChI=1S/C13H18N6O2/c1-5-19-6-9(11(17-19)12(14)20)15-13(21)10-7(2)16-18(4)8(10)3/h6H,5H2,1-4H3,(H2,14,20)(H,15,21)
InChIKeyDVSNJMALQMMBOV-UHFFFAOYSA-N
XLogP0.60
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-1-ethylpyrazol-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(3-carbamoyl-1-ethylpyrazol-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 4772788) is N-(3-carbamoyl-1-ethylpyrazol-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-1-ethylpyrazol-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-carbamoyl-1-ethylpyrazol-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide is CCn1cc(NC(=O)c2c(C)nn(C)c2C)c(C(N)=O)n1.
What is the InChIKey of N-(3-carbamoyl-1-ethylpyrazol-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is DVSNJMALQMMBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-5-19-6-9(11(17-19)12(14)20)15-13(21)10-7(2)16-18(4)8(10)3/h6H,5H2,1-4H3,(H2,14,20)(H,15,21).
What are the key properties of N-(3-carbamoyl-1-ethylpyrazol-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(3-carbamoyl-1-ethylpyrazol-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-1-ethylpyrazol-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 4772788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).