N-(1-cyclopropylpyrazol-3-yl)-2-(3-fluoro-4-hydroxyphenyl)acetamide

C14H14FN3O2 — CID 91254318

IUPACN-(1-cyclopropylpyrazol-3-yl)-2-(3-fluoro-4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)c(F)c1)Nc1ccn(C2CC2)n1
InChIInChI=1S/C14H14FN3O2/c15-11-7-9(1-4-12(11)19)8-14(20)16-13-5-6-18(17-13)10-2-3-10/h1,4-7,10,19H,2-3,8H2,(H,16,17,20)
InChIKeyNMXQRRPSKARVTA-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.24
Rot. Bonds4

About N-(1-cyclopropylpyrazol-3-yl)-2-(3-fluoro-4-hydroxyphenyl)acetamide

N-(1-cyclopropylpyrazol-3-yl)-2-(3-fluoro-4-hydroxyphenyl)acetamide (PubChem CID 91254318) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-(1-cyclopropylpyrazol-3-yl)-2-(3-fluoro-4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylpyrazol-3-yl)-2-(3-fluoro-4-hydroxyphenyl)acetamide
PubChem CID91254318
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC NameN-(1-cyclopropylpyrazol-3-yl)-2-(3-fluoro-4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)c(F)c1)Nc1ccn(C2CC2)n1
InChIInChI=1S/C14H14FN3O2/c15-11-7-9(1-4-12(11)19)8-14(20)16-13-5-6-18(17-13)10-2-3-10/h1,4-7,10,19H,2-3,8H2,(H,16,17,20)
InChIKeyNMXQRRPSKARVTA-UHFFFAOYSA-N
XLogP2.24
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrazol-3-yl)-2-(3-fluoro-4-hydroxyphenyl)acetamide?
The IUPAC name of N-(1-cyclopropylpyrazol-3-yl)-2-(3-fluoro-4-hydroxyphenyl)acetamide (CID 91254318) is N-(1-cyclopropylpyrazol-3-yl)-2-(3-fluoro-4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(1-cyclopropylpyrazol-3-yl)-2-(3-fluoro-4-hydroxyphenyl)acetamide?
The canonical SMILES for N-(1-cyclopropylpyrazol-3-yl)-2-(3-fluoro-4-hydroxyphenyl)acetamide is O=C(Cc1ccc(O)c(F)c1)Nc1ccn(C2CC2)n1.
What is the InChIKey of N-(1-cyclopropylpyrazol-3-yl)-2-(3-fluoro-4-hydroxyphenyl)acetamide?
The InChIKey is NMXQRRPSKARVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-11-7-9(1-4-12(11)19)8-14(20)16-13-5-6-18(17-13)10-2-3-10/h1,4-7,10,19H,2-3,8H2,(H,16,17,20).
What are the key properties of N-(1-cyclopropylpyrazol-3-yl)-2-(3-fluoro-4-hydroxyphenyl)acetamide?
N-(1-cyclopropylpyrazol-3-yl)-2-(3-fluoro-4-hydroxyphenyl)acetamide has a molecular weight of 275.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpyrazol-3-yl)-2-(3-fluoro-4-hydroxyphenyl)acetamide is sourced from PubChem (CID 91254318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).