(2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methylsulfonylpyrrolidine-2-carboxamide

C14H24N4O3S — CID 118774144

IUPAC(2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCc1n[nH]c(C)c1CCCNC(=O)[C@@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C14H24N4O3S/c1-10-12(11(2)17-16-10)6-4-8-15-14(19)13-7-5-9-18(13)22(3,20)21/h13H,4-9H2,1-3H3,(H,15,19)(H,16,17)/t13-/m0/s1
InChIKeySADJNNPAYKHWGE-ZDUSSCGKSA-N
MW328.44 g/mol
LogP0.50
Rot. Bonds6

About (2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methylsulfonylpyrrolidine-2-carboxamide

(2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 118774144) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is (2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID118774144
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name(2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCc1n[nH]c(C)c1CCCNC(=O)[C@@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C14H24N4O3S/c1-10-12(11(2)17-16-10)6-4-8-15-14(19)13-7-5-9-18(13)22(3,20)21/h13H,4-9H2,1-3H3,(H,15,19)(H,16,17)/t13-/m0/s1
InChIKeySADJNNPAYKHWGE-ZDUSSCGKSA-N
XLogP0.50
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 84595015
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56896062
3-(3,5-Dimethyl-1H-pyrazol-4-YL)-1-[3-(1-methanesulfonylpiperidin-4-YL)pyrrolidin-1-YL]propan-1-one
CID 91910347
N~1~-[(3S,4R)-4-[(Dimethylamino)methyl]-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-YL]-3-(3,5-dimethyl-1H-pyrazol-4-YL)propanamide
CID 91923216
N-{2-[(dimethylamino)sulfonyl]ethyl}-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 72873501
(3R*,4S*)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-isopropyl-N,N-dimethyl-3-pyrrolidinamine
CID 72937669
(2S)-N-cyclopentyl-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]propanamide
CID 95228275
1-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
CID 164630291
N-({(2S,4S)-4-fluoro-1-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]pyrrolidin-2-yl}methyl)methanesulfonamide
CID 70779045
N-Cyclopentyl-2-{[3-(3,5-dimethyl-1H-pyrazol-4-YL)propyl]amino}propanamide
CID 50982245
(2S,4R)-4-Amino-1-[(3,5-dimethyl-1H-pyrazol-4-YL)methyl]-N-isopropylpyrrolidine-2-carboxamide
CID 56709160
(4R)-3-tert-butyl-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide
CID 141411248

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methylsulfonylpyrrolidine-2-carboxamide (CID 118774144) is (2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methylsulfonylpyrrolidine-2-carboxamide is Cc1n[nH]c(C)c1CCCNC(=O)[C@@H]1CCCN1S(C)(=O)=O.
What is the InChIKey of (2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is SADJNNPAYKHWGE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-10-12(11(2)17-16-10)6-4-8-15-14(19)13-7-5-9-18(13)22(3,20)21/h13H,4-9H2,1-3H3,(H,15,19)(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
(2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 118774144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).