4-amino-3-ethyl-N,1-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide

C11H17F3N4O — CID 66116982

IUPAC4-amino-3-ethyl-N,1-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(C)CCC(F)(F)F)c1N
InChIInChI=1S/C11H17F3N4O/c1-4-7-8(15)9(18(3)16-7)10(19)17(2)6-5-11(12,13)14/h4-6,15H2,1-3H3
InChIKeySGCWDAFLUNOKNU-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.59
Rot. Bonds4

About 4-amino-3-ethyl-N,1-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide

4-amino-3-ethyl-N,1-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide (PubChem CID 66116982) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 4-amino-3-ethyl-N,1-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-N,1-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide
PubChem CID66116982
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name4-amino-3-ethyl-N,1-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(C)CCC(F)(F)F)c1N
InChIInChI=1S/C11H17F3N4O/c1-4-7-8(15)9(18(3)16-7)10(19)17(2)6-5-11(12,13)14/h4-6,15H2,1-3H3
InChIKeySGCWDAFLUNOKNU-UHFFFAOYSA-N
XLogP1.59
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-N,1-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-N,1-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide (CID 66116982) is 4-amino-3-ethyl-N,1-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-N,1-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-N,1-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide is CCc1nn(C)c(C(=O)N(C)CCC(F)(F)F)c1N.
What is the InChIKey of 4-amino-3-ethyl-N,1-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide?
The InChIKey is SGCWDAFLUNOKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-4-7-8(15)9(18(3)16-7)10(19)17(2)6-5-11(12,13)14/h4-6,15H2,1-3H3.
What are the key properties of 4-amino-3-ethyl-N,1-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide?
4-amino-3-ethyl-N,1-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide has a molecular weight of 278.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-N,1-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 66116982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).