4-amino-1-ethyl-N,3-dimethyl-N-phenylpyrazole-5-carboxamide

C14H18N4O — CID 66123079

IUPAC4-amino-1-ethyl-N,3-dimethyl-N-phenylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)N(C)c1ccccc1
InChIInChI=1S/C14H18N4O/c1-4-18-13(12(15)10(2)16-18)14(19)17(3)11-8-6-5-7-9-11/h5-9H,4,15H2,1-3H3
InChIKeyFYQRREYKNQWLCC-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.07
Rot. Bonds3

About 4-amino-1-ethyl-N,3-dimethyl-N-phenylpyrazole-5-carboxamide

4-amino-1-ethyl-N,3-dimethyl-N-phenylpyrazole-5-carboxamide (PubChem CID 66123079) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-amino-1-ethyl-N,3-dimethyl-N-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N,3-dimethyl-N-phenylpyrazole-5-carboxamide
PubChem CID66123079
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-amino-1-ethyl-N,3-dimethyl-N-phenylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)N(C)c1ccccc1
InChIInChI=1S/C14H18N4O/c1-4-18-13(12(15)10(2)16-18)14(19)17(3)11-8-6-5-7-9-11/h5-9H,4,15H2,1-3H3
InChIKeyFYQRREYKNQWLCC-UHFFFAOYSA-N
XLogP2.07
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N,3-dimethyl-N-phenylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N,3-dimethyl-N-phenylpyrazole-5-carboxamide (CID 66123079) is 4-amino-1-ethyl-N,3-dimethyl-N-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N,3-dimethyl-N-phenylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N,3-dimethyl-N-phenylpyrazole-5-carboxamide is CCn1nc(C)c(N)c1C(=O)N(C)c1ccccc1.
What is the InChIKey of 4-amino-1-ethyl-N,3-dimethyl-N-phenylpyrazole-5-carboxamide?
The InChIKey is FYQRREYKNQWLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-4-18-13(12(15)10(2)16-18)14(19)17(3)11-8-6-5-7-9-11/h5-9H,4,15H2,1-3H3.
What are the key properties of 4-amino-1-ethyl-N,3-dimethyl-N-phenylpyrazole-5-carboxamide?
4-amino-1-ethyl-N,3-dimethyl-N-phenylpyrazole-5-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N,3-dimethyl-N-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 66123079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).