N-ethyl-4,5-dimethyl-1H-pyrazole-3-carboxamide

C8H13N3O — CID 126996863

IUPACN-ethyl-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCCNC(=O)c1n[nH]c(C)c1C
InChIInChI=1S/C8H13N3O/c1-4-9-8(12)7-5(2)6(3)10-11-7/h4H2,1-3H3,(H,9,12)(H,10,11)
InChIKeyIOYGIAYURRHDLN-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.78
Rot. Bonds2

About N-ethyl-4,5-dimethyl-1H-pyrazole-3-carboxamide

N-ethyl-4,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 126996863) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-ethyl-4,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID126996863
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-ethyl-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCCNC(=O)c1n[nH]c(C)c1C
InChIInChI=1S/C8H13N3O/c1-4-9-8(12)7-5(2)6(3)10-11-7/h4H2,1-3H3,(H,9,12)(H,10,11)
InChIKeyIOYGIAYURRHDLN-UHFFFAOYSA-N
XLogP0.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-ethyl-4,5-dimethyl-1H-pyrazole-3-carboxamide (CID 126996863) is N-ethyl-4,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-ethyl-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-ethyl-4,5-dimethyl-1H-pyrazole-3-carboxamide is CCNC(=O)c1n[nH]c(C)c1C.
What is the InChIKey of N-ethyl-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is IOYGIAYURRHDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-4-9-8(12)7-5(2)6(3)10-11-7/h4H2,1-3H3,(H,9,12)(H,10,11).
What are the key properties of N-ethyl-4,5-dimethyl-1H-pyrazole-3-carboxamide?
N-ethyl-4,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 126996863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).