N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide

C15H20N6O2 — CID 110202483

IUPACN-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2CO)n(C)n1
InChIInChI=1S/C15H20N6O2/c1-10-6-13(20(2)19-10)14(23)18-12-8-21(7-11(12)9-22)15-16-4-3-5-17-15/h3-6,11-12,22H,7-9H2,1-2H3,(H,18,23)/t11-,12+/m0/s1
InChIKeyOYGXNASJMVLTDJ-NWDGAFQWSA-N
MW316.37 g/mol
LogP-0.25
Rot. Bonds4

About N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide

N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 110202483) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID110202483
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC NameN-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2CO)n(C)n1
InChIInChI=1S/C15H20N6O2/c1-10-6-13(20(2)19-10)14(23)18-12-8-21(7-11(12)9-22)15-16-4-3-5-17-15/h3-6,11-12,22H,7-9H2,1-2H3,(H,18,23)/t11-,12+/m0/s1
InChIKeyOYGXNASJMVLTDJ-NWDGAFQWSA-N
XLogP-0.25
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-4-methylpyridine-3-carboxamide
CID 110202505
4-fluoro-N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]benzamide
CID 110202512
N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-2-methoxybenzamide
CID 110202517
N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 110202522
N-[1-(5-ethylpyrimidin-2-yl)azetidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 175648687
N-[2-(bromomethyl)cyclopentyl]-2,5-dimethylpyrazole-3-carboxamide
CID 106366475
N-[2-(bromomethyl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide
CID 106367309
N-[1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]benzamide
CID 171142638
N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-(3-methoxyphenyl)propanamide
CID 110202492
2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172899580
2,5-dimethyl-N-(1-quinolin-4-ylazetidin-3-yl)pyrazole-3-carboxamide
CID 175650745
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]quinoline-6-carboxamide
CID 91923141

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide (CID 110202483) is N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2CO)n(C)n1.
What is the InChIKey of N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is OYGXNASJMVLTDJ-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-10-6-13(20(2)19-10)14(23)18-12-8-21(7-11(12)9-22)15-16-4-3-5-17-15/h3-6,11-12,22H,7-9H2,1-2H3,(H,18,23)/t11-,12+/m0/s1.
What are the key properties of N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide?
N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 316.37 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 110202483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).