(3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide

C14H25N5O3S — CID 126437226

IUPAC(3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
SMILESCCn1nc(C)c(CNC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)c1C
InChIInChI=1S/C14H25N5O3S/c1-4-19-11(3)13(10(2)17-19)7-16-14(20)18-6-5-12(8-18)9-23(15,21)22/h12H,4-9H2,1-3H3,(H,16,20)(H2,15,21,22)/t12-/m1/s1
InChIKeyOZUWFTDSRGVJKY-GFCCVEGCSA-N
MW343.45 g/mol
LogP0.34
Rot. Bonds5

About (3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide

(3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide (PubChem CID 126437226) has the molecular formula C14H25N5O3S and a molecular weight of 343.45 g/mol. Its IUPAC name is (3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
PubChem CID126437226
Molecular FormulaC14H25N5O3S
Molecular Weight343.45 g/mol
Exact Mass343.17
IUPAC Name(3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
SMILESCCn1nc(C)c(CNC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)c1C
InChIInChI=1S/C14H25N5O3S/c1-4-19-11(3)13(10(2)17-19)7-16-14(20)18-6-5-12(8-18)9-23(15,21)22/h12H,4-9H2,1-3H3,(H,16,20)(H2,15,21,22)/t12-/m1/s1
InChIKeyOZUWFTDSRGVJKY-GFCCVEGCSA-N
XLogP0.34
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 95189549
(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126436509
(3R)-N-[(4-fluorophenyl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126425242
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 4305269
N-[(5-ethylthiophen-2-yl)methyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
CID 119051482
(3S)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126446748
3-(2,5-dihydropyrrol-1-yl)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrrolidine-1-carboxamide
CID 71868465
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrrol-1-ylpentanamide
CID 118776566
[1-(4-methyl-1,2,5-thiadiazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 138810944
[(3S)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
CID 125161180
(3S)-N-[2-(2-methylindol-1-yl)ethyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126437362
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 122556978

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide (CID 126437226) is (3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide is CCn1nc(C)c(CNC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)c1C.
What is the InChIKey of (3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is OZUWFTDSRGVJKY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25N5O3S/c1-4-19-11(3)13(10(2)17-19)7-16-14(20)18-6-5-12(8-18)9-23(15,21)22/h12H,4-9H2,1-3H3,(H,16,20)(H2,15,21,22)/t12-/m1/s1.
What are the key properties of (3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
(3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126437226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).