N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide

C14H24N4O2 — CID 118770590

IUPACN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CCc1cn[nH]c1
InChIInChI=1S/C14H24N4O2/c1-10(2)18-8-12(13(9-18)20-3)17-14(19)5-4-11-6-15-16-7-11/h6-7,10,12-13H,4-5,8-9H2,1-3H3,(H,15,16)(H,17,19)/t12-,13-/m0/s1
InChIKeyOFMBOPWVXQWMSD-STQMWFEESA-N
MW280.37 g/mol
LogP0.57
Rot. Bonds6

About N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide

N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide (PubChem CID 118770590) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
PubChem CID118770590
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CCc1cn[nH]c1
InChIInChI=1S/C14H24N4O2/c1-10(2)18-8-12(13(9-18)20-3)17-14(19)5-4-11-6-15-16-7-11/h6-7,10,12-13H,4-5,8-9H2,1-3H3,(H,15,16)(H,17,19)/t12-,13-/m0/s1
InChIKeyOFMBOPWVXQWMSD-STQMWFEESA-N
XLogP0.57
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide
CID 118767754
3-(benzenesulfonyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide
CID 118777842
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-piperidin-4-ylacetamide
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CID 91786566
2-[(3S,4R)-3-propan-2-yl-4-[4-(1H-pyrazol-4-yl)butanoylamino]pyrrolidin-1-yl]acetic acid;hydrochloride
CID 154898396
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 118782539
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CID 133266894
5-chloro-N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 133260540
N-(1-cyclohexylpyrrolidin-3-yl)-3-(1H-pyrazol-4-yl)propanamide
CID 132984215
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 45178828
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide
CID 125446001
3-(1H-pyrazol-4-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide (CID 118770590) is N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide is CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CCc1cn[nH]c1.
What is the InChIKey of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide?
The InChIKey is OFMBOPWVXQWMSD-STQMWFEESA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(2)18-8-12(13(9-18)20-3)17-14(19)5-4-11-6-15-16-7-11/h6-7,10,12-13H,4-5,8-9H2,1-3H3,(H,15,16)(H,17,19)/t12-,13-/m0/s1.
What are the key properties of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide?
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide has a molecular weight of 280.37 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 118770590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).