4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine

C21H25N5O — CID 28850994

IUPAC4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
SMILESCOC[C@@H]1CCN(c2nccc(-c3c(C)nn(-c4ccccc4)c3C)n2)C1
InChIInChI=1S/C21H25N5O/c1-15-20(16(2)26(24-15)18-7-5-4-6-8-18)19-9-11-22-21(23-19)25-12-10-17(13-25)14-27-3/h4-9,11,17H,10,12-14H2,1-3H3/t17-/m1/s1
InChIKeyOJYNJNXWEYANFO-QGZVFWFLSA-N
MW363.47 g/mol
LogP3.42
Rot. Bonds5

About 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine

4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine (PubChem CID 28850994) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
PubChem CID28850994
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
SMILESCOC[C@@H]1CCN(c2nccc(-c3c(C)nn(-c4ccccc4)c3C)n2)C1
InChIInChI=1S/C21H25N5O/c1-15-20(16(2)26(24-15)18-7-5-4-6-8-18)19-9-11-22-21(23-19)25-12-10-17(13-25)14-27-3/h4-9,11,17H,10,12-14H2,1-3H3/t17-/m1/s1
InChIKeyOJYNJNXWEYANFO-QGZVFWFLSA-N
XLogP3.42
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine
CID 133310053
4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80845282
4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(thiolan-3-yl)pyrimidin-2-amine
CID 46982759
5-(chloromethyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 83184845
2-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 45219170
[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate
CID 87560832
2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine
CID 103757063
2-[3-(chloromethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 63390343
2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 163347848
N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83189314
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpyridine
CID 164927032
ethyl 1-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxylate
CID 66502845

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine (CID 28850994) is 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine is COC[C@@H]1CCN(c2nccc(-c3c(C)nn(-c4ccccc4)c3C)n2)C1.
What is the InChIKey of 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is OJYNJNXWEYANFO-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15-20(16(2)26(24-15)18-7-5-4-6-8-18)19-9-11-22-21(23-19)25-12-10-17(13-25)14-27-3/h4-9,11,17H,10,12-14H2,1-3H3/t17-/m1/s1.
What are the key properties of 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine?
4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 363.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 28850994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).