N-(3-carbamoyl-1-methylpyrazol-4-yl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide

C13H18N6O2 — CID 4771958

IUPACN-(3-carbamoyl-1-methylpyrazol-4-yl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)Nc2cn(C)nc2C(N)=O)c1C
InChIInChI=1S/C13H18N6O2/c1-5-19-8(3)10(7(2)16-19)13(21)15-9-6-18(4)17-11(9)12(14)20/h6H,5H2,1-4H3,(H2,14,20)(H,15,21)
InChIKeyOJRCZJQRBKKENQ-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.60
Rot. Bonds4

About N-(3-carbamoyl-1-methylpyrazol-4-yl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide

N-(3-carbamoyl-1-methylpyrazol-4-yl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 4771958) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is N-(3-carbamoyl-1-methylpyrazol-4-yl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-1-methylpyrazol-4-yl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
PubChem CID4771958
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC NameN-(3-carbamoyl-1-methylpyrazol-4-yl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)Nc2cn(C)nc2C(N)=O)c1C
InChIInChI=1S/C13H18N6O2/c1-5-19-8(3)10(7(2)16-19)13(21)15-9-6-18(4)17-11(9)12(14)20/h6H,5H2,1-4H3,(H2,14,20)(H,15,21)
InChIKeyOJRCZJQRBKKENQ-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-methylpyrazol-4-yl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(3-carbamoyl-1-methylpyrazol-4-yl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide (CID 4771958) is N-(3-carbamoyl-1-methylpyrazol-4-yl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-1-methylpyrazol-4-yl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-carbamoyl-1-methylpyrazol-4-yl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide is CCn1nc(C)c(C(=O)Nc2cn(C)nc2C(N)=O)c1C.
What is the InChIKey of N-(3-carbamoyl-1-methylpyrazol-4-yl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is OJRCZJQRBKKENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-5-19-8(3)10(7(2)16-19)13(21)15-9-6-18(4)17-11(9)12(14)20/h6H,5H2,1-4H3,(H2,14,20)(H,15,21).
What are the key properties of N-(3-carbamoyl-1-methylpyrazol-4-yl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide?
N-(3-carbamoyl-1-methylpyrazol-4-yl)-1-ethyl-3,5-dimethylpyrazole-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-methylpyrazol-4-yl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 4771958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).