4-amino-3-ethyl-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxamide

C14H17FN4O — CID 66122977

IUPAC4-amino-3-ethyl-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCc2cccc(F)c2)c1N
InChIInChI=1S/C14H17FN4O/c1-3-11-12(16)13(19(2)18-11)14(20)17-8-9-5-4-6-10(15)7-9/h4-7H,3,8,16H2,1-2H3,(H,17,20)
InChIKeyRPHRGNCPWIKJDJ-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.63
Rot. Bonds4

About 4-amino-3-ethyl-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxamide

4-amino-3-ethyl-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxamide (PubChem CID 66122977) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 4-amino-3-ethyl-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxamide
PubChem CID66122977
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name4-amino-3-ethyl-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCc2cccc(F)c2)c1N
InChIInChI=1S/C14H17FN4O/c1-3-11-12(16)13(19(2)18-11)14(20)17-8-9-5-4-6-10(15)7-9/h4-7H,3,8,16H2,1-2H3,(H,17,20)
InChIKeyRPHRGNCPWIKJDJ-UHFFFAOYSA-N
XLogP1.63
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-ethyl-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 66123361
5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 115330388
4-amino-3-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-5-carboxamide
CID 66116333
4-amino-3-ethyl-N-(6-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide
CID 116812548
4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 43643225
4-amino-3-ethyl-N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 66123377
4-amino-N-(2,2-difluoroethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 115405271
4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66123758
4-amino-3-ethyl-1-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-carboxamide
CID 66123952
4-chloro-3-ethyl-N-[(4-ethylphenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 14460827
N-[(3-aminophenyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121298
4-amino-3-ethyl-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-5-carboxamide
CID 79756140

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxamide (CID 66122977) is 4-amino-3-ethyl-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NCc2cccc(F)c2)c1N.
What is the InChIKey of 4-amino-3-ethyl-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is RPHRGNCPWIKJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-3-11-12(16)13(19(2)18-11)14(20)17-8-9-5-4-6-10(15)7-9/h4-7H,3,8,16H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-3-ethyl-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxamide?
4-amino-3-ethyl-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66122977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).