N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide

C14H24N4O3S — CID 72925354

IUPACN-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESCCC[C@H]1CN(CCS(C)(=O)=O)C[C@@H]1NC(=O)c1ccn[nH]1
InChIInChI=1S/C14H24N4O3S/c1-3-4-11-9-18(7-8-22(2,20)21)10-13(11)16-14(19)12-5-6-15-17-12/h5-6,11,13H,3-4,7-10H2,1-2H3,(H,15,17)(H,16,19)/t11-,13-/m0/s1
InChIKeyLVQWMQMENNYVGU-AAEUAGOBSA-N
MW328.44 g/mol
LogP0.28
Rot. Bonds7

About N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide

N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 72925354) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID72925354
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESCCC[C@H]1CN(CCS(C)(=O)=O)C[C@@H]1NC(=O)c1ccn[nH]1
InChIInChI=1S/C14H24N4O3S/c1-3-4-11-9-18(7-8-22(2,20)21)10-13(11)16-14(19)12-5-6-15-17-12/h5-6,11,13H,3-4,7-10H2,1-2H3,(H,15,17)(H,16,19)/t11-,13-/m0/s1
InChIKeyLVQWMQMENNYVGU-AAEUAGOBSA-N
XLogP0.28
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide
CID 127026695
(4aR*,7aS*)-1-propyl-4-(1H-pyrazol-3-ylcarbonyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70735823
N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 72863460
1-methyl-N-{rel-(3R,4S)-1-[2-(methylsulfonyl)ethyl]-4-propyl-3-pyrrolidinyl}-1H-pyrazole-3-carboxamide hydrochloride
CID 72898440
2-[(3aR,7aR)-2-(1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-N-methylacetamide
CID 97402525
[(3aR,8aR)-2-ethyl-1,1-dioxo-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepin-6-yl]-(1H-pyrazol-5-yl)methanone
CID 97441070
1-Methanesulfonyl-4-[1-(1H-pyrazole-3-carbonyl)pyrrolidin-3-YL]piperidine
CID 91921416
N-[(5S)-5-(1H-pyrazole-5-carbonylamino)hexyl]-1H-pyrazole-5-carboxamide
CID 125531969
N-[(4-methyl-1,3-thiazolidin-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 138857449
[(4aS,7aS)-1,1-dioxo-4a-(trifluoromethyl)-2,3,4,5,7,7a-hexahydrothiopyrano[2,3-c]pyrrol-6-yl]-(1H-pyrazol-5-yl)methanone
CID 138022307
N-cyclohexyl-N-[2-(ethylthio)ethyl]-1H-pyrazole-3-carboxamide
CID 50951708
[(3aR,8aR)-2-methyl-1,1-dioxo-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepin-6-yl]-(1H-pyrazol-5-yl)methanone
CID 155901410

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide (CID 72925354) is N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide is CCC[C@H]1CN(CCS(C)(=O)=O)C[C@@H]1NC(=O)c1ccn[nH]1.
What is the InChIKey of N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is LVQWMQMENNYVGU-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-3-4-11-9-18(7-8-22(2,20)21)10-13(11)16-14(19)12-5-6-15-17-12/h5-6,11,13H,3-4,7-10H2,1-2H3,(H,15,17)(H,16,19)/t11-,13-/m0/s1.
What are the key properties of N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 72925354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).