1-cyclopropyl-3-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-1-(2-hydroxyethyl)urea

C17H21FN4O2 — CID 110896865

IUPAC1-cyclopropyl-3-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-1-(2-hydroxyethyl)urea
SMILESCc1cc(C)n(-c2ccc(NC(=O)N(CCO)C3CC3)cc2F)n1
InChIInChI=1S/C17H21FN4O2/c1-11-9-12(2)22(20-11)16-6-3-13(10-15(16)18)19-17(24)21(7-8-23)14-4-5-14/h3,6,9-10,14,23H,4-5,7-8H2,1-2H3,(H,19,24)
InChIKeyAJSKMPZEAVWPRD-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.62
Rot. Bonds5

About 1-cyclopropyl-3-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-1-(2-hydroxyethyl)urea

1-cyclopropyl-3-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-1-(2-hydroxyethyl)urea (PubChem CID 110896865) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-1-(2-hydroxyethyl)urea
PubChem CID110896865
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name1-cyclopropyl-3-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-1-(2-hydroxyethyl)urea
SMILESCc1cc(C)n(-c2ccc(NC(=O)N(CCO)C3CC3)cc2F)n1
InChIInChI=1S/C17H21FN4O2/c1-11-9-12(2)22(20-11)16-6-3-13(10-15(16)18)19-17(24)21(7-8-23)14-4-5-14/h3,6,9-10,14,23H,4-5,7-8H2,1-2H3,(H,19,24)
InChIKeyAJSKMPZEAVWPRD-UHFFFAOYSA-N
XLogP2.62
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1-(2-hydroxyethyl)urea
CID 111110138
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]acetamide
CID 119731535
1-cyclopropyl-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1-(4-hydroxybutyl)urea
CID 111754705
3-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731520
1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 43429992
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-methyl-4-oxocyclohexane-1-carboxamide
CID 127691444
(2S)-2-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-methylpentanamide
CID 119731557
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide
CID 119731551
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119731550
3-[cyclopropyl-[(3-fluoro-4-methylphenyl)carbamoyl]amino]propanoic acid
CID 61191910
1-cyclopropyl-3-[4-(dimethylamino)-3-methylphenyl]-1-(2-hydroxyethyl)urea
CID 110891304
1-cyclopropyl-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(2-hydroxyethyl)urea
CID 110896107

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-1-(2-hydroxyethyl)urea (CID 110896865) is 1-cyclopropyl-3-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-1-(2-hydroxyethyl)urea is Cc1cc(C)n(-c2ccc(NC(=O)N(CCO)C3CC3)cc2F)n1.
What is the InChIKey of 1-cyclopropyl-3-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-1-(2-hydroxyethyl)urea?
The InChIKey is AJSKMPZEAVWPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-11-9-12(2)22(20-11)16-6-3-13(10-15(16)18)19-17(24)21(7-8-23)14-4-5-14/h3,6,9-10,14,23H,4-5,7-8H2,1-2H3,(H,19,24).
What are the key properties of 1-cyclopropyl-3-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-1-(2-hydroxyethyl)urea?
1-cyclopropyl-3-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-1-(2-hydroxyethyl)urea has a molecular weight of 332.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110896865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).