[3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea

C16H16N6O2 — CID 139318982

IUPAC[3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea
SMILESCOc1ncc(-c2nn(-c3ccccc3)c(NC(N)=O)c2C)cn1
InChIInChI=1S/C16H16N6O2/c1-10-13(11-8-18-16(24-2)19-9-11)21-22(14(10)20-15(17)23)12-6-4-3-5-7-12/h3-9H,1-2H3,(H3,17,20,23)
InChIKeyMWDRZZYUWAGNHJ-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.14
Rot. Bonds4

About [3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea

[3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea (PubChem CID 139318982) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is [3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea.

Molecular Properties

Compound Name[3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea
PubChem CID139318982
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name[3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea
SMILESCOc1ncc(-c2nn(-c3ccccc3)c(NC(N)=O)c2C)cn1
InChIInChI=1S/C16H16N6O2/c1-10-13(11-8-18-16(24-2)19-9-11)21-22(14(10)20-15(17)23)12-6-4-3-5-7-12/h3-9H,1-2H3,(H3,17,20,23)
InChIKeyMWDRZZYUWAGNHJ-UHFFFAOYSA-N
XLogP2.14
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]carbamoyl iodide
CID 126735923
6-[5-(carbamoylamino)-4-methyl-1-phenylpyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 145228447
1-[(2S,3R)-2-hydroxy-3-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea
CID 139318983
1-[(3S)-4-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea
CID 148775096
[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]urea
CID 71041411
1-[(1R,2S,4S)-2-(2-fluoro-4-pyridinyl)-4-(2-methoxyethyl)cyclopentyl]-3-[3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea
CID 137495130
1-[(2S,3R,5S)-2-(2-fluoro-4-pyridinyl)-5-(2-methoxyethyl)-1-methylpyrrolidin-3-yl]-3-[3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea
CID 137495101
phenyl N-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]carbamate
CID 167377695
1-(2-hydroxy-3,3-dimethyl-1,2-dihydroinden-1-yl)-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea
CID 123327662
1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea
CID 122658049
1-(2-hydroxyspiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea
CID 122658048
3-(2-ethylpyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine
CID 142337220

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea?
The IUPAC name of [3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea (CID 139318982) is [3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea.
What is the SMILES notation for [3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea?
The canonical SMILES for [3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea is COc1ncc(-c2nn(-c3ccccc3)c(NC(N)=O)c2C)cn1.
What is the InChIKey of [3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea?
The InChIKey is MWDRZZYUWAGNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-10-13(11-8-18-16(24-2)19-9-11)21-22(14(10)20-15(17)23)12-6-4-3-5-7-12/h3-9H,1-2H3,(H3,17,20,23).
What are the key properties of [3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea?
[3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea has a molecular weight of 324.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea is sourced from PubChem (CID 139318982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).