1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea

C16H19FN4O2 — CID 111437782

IUPAC1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCc1cnn(-c2ccc(NC(=O)NCC3(O)CCC3)cc2F)c1
InChIInChI=1S/C16H19FN4O2/c1-11-8-19-21(9-11)14-4-3-12(7-13(14)17)20-15(22)18-10-16(23)5-2-6-16/h3-4,7-9,23H,2,5-6,10H2,1H3,(H2,18,20,22)
InChIKeySIKYRONNOUVBRI-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.36
Rot. Bonds4

About 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea

1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea (PubChem CID 111437782) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
PubChem CID111437782
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCc1cnn(-c2ccc(NC(=O)NCC3(O)CCC3)cc2F)c1
InChIInChI=1S/C16H19FN4O2/c1-11-8-19-21(9-11)14-4-3-12(7-13(14)17)20-15(22)18-10-16(23)5-2-6-16/h3-4,7-9,23H,2,5-6,10H2,1H3,(H2,18,20,22)
InChIKeySIKYRONNOUVBRI-UHFFFAOYSA-N
XLogP2.36
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea
CID 111435060
1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111474913
3-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylurea
CID 126794238
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]prop-2-enamide
CID 166408288
4-[[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122085082
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]acetamide
CID 119796616
3-fluoro-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 71874249
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 119330858
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-2-methoxy-3-phenylprop-2-enamide
CID 154792704
2-amino-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-methylpentanamide;hydrochloride
CID 119796623
1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-[(1S)-1-[(3S)-oxolan-3-yl]prop-2-ynyl]urea
CID 99794107
1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-[(1R)-1-[(3R)-oxolan-3-yl]prop-2-ynyl]urea
CID 99794108

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The IUPAC name of 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea (CID 111437782) is 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The canonical SMILES for 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea is Cc1cnn(-c2ccc(NC(=O)NCC3(O)CCC3)cc2F)c1.
What is the InChIKey of 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The InChIKey is SIKYRONNOUVBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-11-8-19-21(9-11)14-4-3-12(7-13(14)17)20-15(22)18-10-16(23)5-2-6-16/h3-4,7-9,23H,2,5-6,10H2,1H3,(H2,18,20,22).
What are the key properties of 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea has a molecular weight of 318.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea is sourced from PubChem (CID 111437782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).