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

C17H27N5O — CID 46968232

IUPACN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NC(C)c2c(C)nn(CC)c2C)c1C
InChIInChI=1S/C17H27N5O/c1-7-9-22-13(5)15(10-18-22)17(23)19-11(3)16-12(4)20-21(8-2)14(16)6/h10-11H,7-9H2,1-6H3,(H,19,23)
InChIKeyXRHMOIAJQUTYAR-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.93
Rot. Bonds6

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

N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide (PubChem CID 46968232) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
PubChem CID46968232
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NC(C)c2c(C)nn(CC)c2C)c1C
InChIInChI=1S/C17H27N5O/c1-7-9-22-13(5)15(10-18-22)17(23)19-11(3)16-12(4)20-21(8-2)14(16)6/h10-11H,7-9H2,1-6H3,(H,19,23)
InChIKeyXRHMOIAJQUTYAR-UHFFFAOYSA-N
XLogP2.93
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide (CID 46968232) is N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)NC(C)c2c(C)nn(CC)c2C)c1C.
What is the InChIKey of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide?
The InChIKey is XRHMOIAJQUTYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-7-9-22-13(5)15(10-18-22)17(23)19-11(3)16-12(4)20-21(8-2)14(16)6/h10-11H,7-9H2,1-6H3,(H,19,23).
What are the key properties of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide?
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 46968232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).