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

C13H19N5O — CID 19575757

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2ccn(C)n2)c1C
InChIInChI=1S/C13H19N5O/c1-5-18-10(2)11(8-14-18)9-16(3)13(19)12-6-7-17(4)15-12/h6-8H,5,9H2,1-4H3
InChIKeyKOWCWXYUHXMZBI-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.22
Rot. Bonds4

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

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 19575757) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID19575757
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2ccn(C)n2)c1C
InChIInChI=1S/C13H19N5O/c1-5-18-10(2)11(8-14-18)9-16(3)13(19)12-6-7-17(4)15-12/h6-8H,5,9H2,1-4H3
InChIKeyKOWCWXYUHXMZBI-UHFFFAOYSA-N
XLogP1.22
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide (CID 19575757) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide is CCn1ncc(CN(C)C(=O)c2ccn(C)n2)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is KOWCWXYUHXMZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-5-18-10(2)11(8-14-18)9-16(3)13(19)12-6-7-17(4)15-12/h6-8H,5,9H2,1-4H3.
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 261.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19575757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).