(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol

C14H19N5O — CID 135104291

IUPAC(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESCc1nccc(N2C[C@@H](Cc3cc(C)[nH]n3)[C@@H](O)C2)n1
InChIInChI=1S/C14H19N5O/c1-9-5-12(18-17-9)6-11-7-19(8-13(11)20)14-3-4-15-10(2)16-14/h3-5,11,13,20H,6-8H2,1-2H3,(H,17,18)/t11-,13+/m1/s1
InChIKeyIFAZRCAPFKIVHG-YPMHNXCESA-N
MW273.34 g/mol
LogP0.86
Rot. Bonds3

About (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol

(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 135104291) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID135104291
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESCc1nccc(N2C[C@@H](Cc3cc(C)[nH]n3)[C@@H](O)C2)n1
InChIInChI=1S/C14H19N5O/c1-9-5-12(18-17-9)6-11-7-19(8-13(11)20)14-3-4-15-10(2)16-14/h3-5,11,13,20H,6-8H2,1-2H3,(H,17,18)/t11-,13+/m1/s1
InChIKeyIFAZRCAPFKIVHG-YPMHNXCESA-N
XLogP0.86
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 155507113
(3R,4R)-1-(3-fluoro-4-pyridinyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 135118104
(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-ol
CID 155493377
2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-6-phenylpyridine-3-carboxylic acid
CID 155494186
2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-4,5,6-trimethylpyridine-3-carbonitrile
CID 135105465
methyl 2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-6-methylpyrimidine-4-carboxylate
CID 155500099
[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 135120841
(3S,4R)-1-[(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 135097101
(3R,4R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 134705909
[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(4-propoxyphenyl)methanone
CID 135103871
2-[3-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol
CID 110271021
[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 135088921

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol (CID 135104291) is (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol is Cc1nccc(N2C[C@@H](Cc3cc(C)[nH]n3)[C@@H](O)C2)n1.
What is the InChIKey of (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is IFAZRCAPFKIVHG-YPMHNXCESA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-5-12(18-17-9)6-11-7-19(8-13(11)20)14-3-4-15-10(2)16-14/h3-5,11,13,20H,6-8H2,1-2H3,(H,17,18)/t11-,13+/m1/s1.
What are the key properties of (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol?
(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 273.34 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 135104291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).