N-[2-(cyclopropylamino)-4-fluorophenyl]-1-ethylpyrazole-4-carboxamide

C15H17FN4O — CID 71919554

IUPACN-[2-(cyclopropylamino)-4-fluorophenyl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(F)cc2NC2CC2)cn1
InChIInChI=1S/C15H17FN4O/c1-2-20-9-10(8-17-20)15(21)19-13-6-3-11(16)7-14(13)18-12-4-5-12/h3,6-9,12,18H,2,4-5H2,1H3,(H,19,21)
InChIKeyNXENEKXHDHFDIF-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.87
Rot. Bonds5

About N-[2-(cyclopropylamino)-4-fluorophenyl]-1-ethylpyrazole-4-carboxamide

N-[2-(cyclopropylamino)-4-fluorophenyl]-1-ethylpyrazole-4-carboxamide (PubChem CID 71919554) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-4-fluorophenyl]-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-4-fluorophenyl]-1-ethylpyrazole-4-carboxamide
PubChem CID71919554
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC NameN-[2-(cyclopropylamino)-4-fluorophenyl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(F)cc2NC2CC2)cn1
InChIInChI=1S/C15H17FN4O/c1-2-20-9-10(8-17-20)15(21)19-13-6-3-11(16)7-14(13)18-12-4-5-12/h3,6-9,12,18H,2,4-5H2,1H3,(H,19,21)
InChIKeyNXENEKXHDHFDIF-UHFFFAOYSA-N
XLogP2.87
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-4-fluorophenyl]-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)-4-fluorophenyl]-1-ethylpyrazole-4-carboxamide (CID 71919554) is N-[2-(cyclopropylamino)-4-fluorophenyl]-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-4-fluorophenyl]-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)-4-fluorophenyl]-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)Nc2ccc(F)cc2NC2CC2)cn1.
What is the InChIKey of N-[2-(cyclopropylamino)-4-fluorophenyl]-1-ethylpyrazole-4-carboxamide?
The InChIKey is NXENEKXHDHFDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-2-20-9-10(8-17-20)15(21)19-13-6-3-11(16)7-14(13)18-12-4-5-12/h3,6-9,12,18H,2,4-5H2,1H3,(H,19,21).
What are the key properties of N-[2-(cyclopropylamino)-4-fluorophenyl]-1-ethylpyrazole-4-carboxamide?
N-[2-(cyclopropylamino)-4-fluorophenyl]-1-ethylpyrazole-4-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-4-fluorophenyl]-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 71919554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).