N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-2-ethylpyrazole-3-carboxamide

C15H23N5O — CID 4771532

IUPACN-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC(Cn1cccn1)C(C)(C)C
InChIInChI=1S/C15H23N5O/c1-5-20-12(7-9-17-20)14(21)18-13(15(2,3)4)11-19-10-6-8-16-19/h6-10,13H,5,11H2,1-4H3,(H,18,21)
InChIKeyJOXRGKMNXJMXBV-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.94
Rot. Bonds5

About N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-2-ethylpyrazole-3-carboxamide

N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-2-ethylpyrazole-3-carboxamide (PubChem CID 4771532) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-2-ethylpyrazole-3-carboxamide
PubChem CID4771532
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC(Cn1cccn1)C(C)(C)C
InChIInChI=1S/C15H23N5O/c1-5-20-12(7-9-17-20)14(21)18-13(15(2,3)4)11-19-10-6-8-16-19/h6-10,13H,5,11H2,1-4H3,(H,18,21)
InChIKeyJOXRGKMNXJMXBV-UHFFFAOYSA-N
XLogP1.94
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-2-ethylpyrazole-3-carboxamide (CID 4771532) is N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)NC(Cn1cccn1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-2-ethylpyrazole-3-carboxamide?
The InChIKey is JOXRGKMNXJMXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-5-20-12(7-9-17-20)14(21)18-13(15(2,3)4)11-19-10-6-8-16-19/h6-10,13H,5,11H2,1-4H3,(H,18,21).
What are the key properties of N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-2-ethylpyrazole-3-carboxamide?
N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-2-ethylpyrazole-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 4771532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).