(2R)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

C19H21FN4O — CID 95290074

IUPAC(2R)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1cc(-n2cccc2)ccc1F
InChIInChI=1S/C19H21FN4O/c1-12(18-13(2)22-23(4)14(18)3)19(25)21-17-11-15(7-8-16(17)20)24-9-5-6-10-24/h5-12H,1-4H3,(H,21,25)/t12-/m1/s1
InChIKeyWTVPWISEHGCJFN-GFCCVEGCSA-N
MW340.40 g/mol
LogP3.71
Rot. Bonds4

About (2R)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2R)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 95290074) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is (2R)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID95290074
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name(2R)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1cc(-n2cccc2)ccc1F
InChIInChI=1S/C19H21FN4O/c1-12(18-13(2)22-23(4)14(18)3)19(25)21-17-11-15(7-8-16(17)20)24-9-5-6-10-24/h5-12H,1-4H3,(H,21,25)/t12-/m1/s1
InChIKeyWTVPWISEHGCJFN-GFCCVEGCSA-N
XLogP3.71
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2R)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 95290074) is (2R)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2R)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2R)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1cc(-n2cccc2)ccc1F.
What is the InChIKey of (2R)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is WTVPWISEHGCJFN-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-12(18-13(2)22-23(4)14(18)3)19(25)21-17-11-15(7-8-16(17)20)24-9-5-6-10-24/h5-12H,1-4H3,(H,21,25)/t12-/m1/s1.
What are the key properties of (2R)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2R)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 340.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 95290074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).