N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide

C20H28N4O — CID 124887071

IUPACN-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
SMILESCC(C)c1[nH]ncc1C(=O)N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H28N4O/c1-14(2)19-18(11-21-23-19)20(25)22-15(3)17-9-10-24(13-17)12-16-7-5-4-6-8-16/h4-8,11,14-15,17H,9-10,12-13H2,1-3H3,(H,21,23)(H,22,25)/t15-,17+/m0/s1
InChIKeyQNXPZUFULQHFQY-DOTOQJQBSA-N
MW340.47 g/mol
LogP3.17
Rot. Bonds6

About N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide

N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 124887071) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
PubChem CID124887071
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
SMILESCC(C)c1[nH]ncc1C(=O)N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H28N4O/c1-14(2)19-18(11-21-23-19)20(25)22-15(3)17-9-10-24(13-17)12-16-7-5-4-6-8-16/h4-8,11,14-15,17H,9-10,12-13H2,1-3H3,(H,21,23)(H,22,25)/t15-,17+/m0/s1
InChIKeyQNXPZUFULQHFQY-DOTOQJQBSA-N
XLogP3.17
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-ethylpiperidine-2-carboxamide
CID 154801347
N-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 124862687
1-(1-benzylpyrrolidin-3-yl)ethylthiourea
CID 131219663
N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1,3-dithiolane-2-carboxamide
CID 125137166
N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 75448910
N-[1-(1-benzylpiperidin-3-yl)ethyl]acetamide
CID 21041194
N-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 125137212
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
N-[[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]sulfamoyl]propan-2-amine
CID 125137183
dimethyl (2R)-2-[(3R)-1-benzylpyrrolidin-3-yl]-3-methylbutanedioate
CID 166986160
N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3-phenylpropan-1-amine
CID 97341089
1-[(3R)-1-benzylpyrrolidin-3-yl]-2-methylpropan-1-one
CID 59669005

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide (CID 124887071) is N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide is CC(C)c1[nH]ncc1C(=O)N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is QNXPZUFULQHFQY-DOTOQJQBSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14(2)19-18(11-21-23-19)20(25)22-15(3)17-9-10-24(13-17)12-16-7-5-4-6-8-16/h4-8,11,14-15,17H,9-10,12-13H2,1-3H3,(H,21,23)(H,22,25)/t15-,17+/m0/s1.
What are the key properties of N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide?
N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 124887071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).