N-[(3R,4R)-4-hydroxy-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide

C14H17N5O4S — CID 110133152

IUPACN-[(3R,4R)-4-hydroxy-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CN(C(=O)c2cc(-c3cccnc3)n[nH]2)C[C@H]1O
InChIInChI=1S/C14H17N5O4S/c1-24(22,23)18-12-7-19(8-13(12)20)14(21)11-5-10(16-17-11)9-3-2-4-15-6-9/h2-6,12-13,18,20H,7-8H2,1H3,(H,16,17)/t12-,13-/m1/s1
InChIKeyXZVDVEUMQXUKBS-CHWSQXEVSA-N
MW351.39 g/mol
LogP-0.79
Rot. Bonds4

About N-[(3R,4R)-4-hydroxy-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide

N-[(3R,4R)-4-hydroxy-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 110133152) has the molecular formula C14H17N5O4S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxy-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxy-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID110133152
Molecular FormulaC14H17N5O4S
Molecular Weight351.39 g/mol
Exact Mass351.10
IUPAC NameN-[(3R,4R)-4-hydroxy-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CN(C(=O)c2cc(-c3cccnc3)n[nH]2)C[C@H]1O
InChIInChI=1S/C14H17N5O4S/c1-24(22,23)18-12-7-19(8-13(12)20)14(21)11-5-10(16-17-11)9-3-2-4-15-6-9/h2-6,12-13,18,20H,7-8H2,1H3,(H,16,17)/t12-,13-/m1/s1
InChIKeyXZVDVEUMQXUKBS-CHWSQXEVSA-N
XLogP-0.79
TPSA128.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-4-methyl-3-phenylpiperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
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CID 93069495
[4-(dimethylamino)phenyl]-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087831
(3,5-dimethoxyphenyl)-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087828
N-(4-ethylphenyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087608
N-cyclopentyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087604
(3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 93069459
[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 110106668
(4aS,8aS)-6-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 110147246
[3-(dimethylamino)phenyl]-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087830
4-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]benzonitrile
CID 53087822
(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 166214851

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxy-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4R)-4-hydroxy-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide (CID 110133152) is N-[(3R,4R)-4-hydroxy-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxy-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxy-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@@H]1CN(C(=O)c2cc(-c3cccnc3)n[nH]2)C[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxy-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is XZVDVEUMQXUKBS-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H17N5O4S/c1-24(22,23)18-12-7-19(8-13(12)20)14(21)11-5-10(16-17-11)9-3-2-4-15-6-9/h2-6,12-13,18,20H,7-8H2,1H3,(H,16,17)/t12-,13-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxy-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
N-[(3R,4R)-4-hydroxy-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 351.39 g/mol, XLogP of -0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxy-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 110133152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).