(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide

C14H25N5O3S — CID 126436509

IUPAC(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)N2CC[C@H](CS(N)(=O)=O)C2)n1
InChIInChI=1S/C14H25N5O3S/c1-11-8-12(2)19(17-11)6-3-5-16-14(20)18-7-4-13(9-18)10-23(15,21)22/h8,13H,3-7,9-10H2,1-2H3,(H,16,20)(H2,15,21,22)/t13-/m0/s1
InChIKeyFMQHYGQKRVZIJQ-ZDUSSCGKSA-N
MW343.45 g/mol
LogP0.21
Rot. Bonds6

About (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide

(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide (PubChem CID 126436509) has the molecular formula C14H25N5O3S and a molecular weight of 343.45 g/mol. Its IUPAC name is (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
PubChem CID126436509
Molecular FormulaC14H25N5O3S
Molecular Weight343.45 g/mol
Exact Mass343.17
IUPAC Name(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)N2CC[C@H](CS(N)(=O)=O)C2)n1
InChIInChI=1S/C14H25N5O3S/c1-11-8-12(2)19(17-11)6-3-5-16-14(20)18-7-4-13(9-18)10-23(15,21)22/h8,13H,3-7,9-10H2,1-2H3,(H,16,20)(H2,15,21,22)/t13-/m0/s1
InChIKeyFMQHYGQKRVZIJQ-ZDUSSCGKSA-N
XLogP0.21
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894833
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide
CID 115575262
1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-N-propylpiperidine-1,4-dicarboxamide
CID 86999451
(3S)-N-[2-(2-methylindol-1-yl)ethyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126437362
(3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126437226
3-(2,3-dimethoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 119067242
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 115737976
(3R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 28882866
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 126445664
ethyl 1-[N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 75371510
4-[2-(diethylamino)-2-oxoethyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,4-diazepane-1-carboxamide
CID 86999458
1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 113233160

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide (CID 126436509) is (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide is Cc1cc(C)n(CCCNC(=O)N2CC[C@H](CS(N)(=O)=O)C2)n1.
What is the InChIKey of (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is FMQHYGQKRVZIJQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H25N5O3S/c1-11-8-12(2)19(17-11)6-3-5-16-14(20)18-7-4-13(9-18)10-23(15,21)22/h8,13H,3-7,9-10H2,1-2H3,(H,16,20)(H2,15,21,22)/t13-/m0/s1.
What are the key properties of (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126436509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).