1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide

C16H25N5O — CID 17020489

IUPAC1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(C)Cc2c(C)nn(CC)c2C)c(C)n1
InChIInChI=1S/C16H25N5O/c1-7-20-10-15(12(4)17-20)16(22)19(6)9-14-11(3)18-21(8-2)13(14)5/h10H,7-9H2,1-6H3
InChIKeyXEZBSQLNVMFBDQ-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.32
Rot. Bonds5

About 1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide

1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide (PubChem CID 17020489) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide
PubChem CID17020489
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(C)Cc2c(C)nn(CC)c2C)c(C)n1
InChIInChI=1S/C16H25N5O/c1-7-20-10-15(12(4)17-20)16(22)19(6)9-14-11(3)18-21(8-2)13(14)5/h10H,7-9H2,1-6H3
InChIKeyXEZBSQLNVMFBDQ-UHFFFAOYSA-N
XLogP2.32
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide (CID 17020489) is 1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide is CCn1cc(C(=O)N(C)Cc2c(C)nn(CC)c2C)c(C)n1.
What is the InChIKey of 1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide?
The InChIKey is XEZBSQLNVMFBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-7-20-10-15(12(4)17-20)16(22)19(6)9-14-11(3)18-21(8-2)13(14)5/h10H,7-9H2,1-6H3.
What are the key properties of 1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide?
1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 17020489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).