1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide

C19H32N6O2 — CID 74231149

IUPAC1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnn(CC)c2)CN1C1CCN(C)CC1
InChIInChI=1S/C19H32N6O2/c1-4-20-19(27)17-10-15(13-25(17)16-6-8-23(3)9-7-16)22-18(26)14-11-21-24(5-2)12-14/h11-12,15-17H,4-10,13H2,1-3H3,(H,20,27)(H,22,26)/t15-,17-/m0/s1
InChIKeyPRVHEEZEVQDWTF-RDJZCZTQSA-N
MW376.51 g/mol
LogP0.31
Rot. Bonds6

About 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide

1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide (PubChem CID 74231149) has the molecular formula C19H32N6O2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
PubChem CID74231149
Molecular FormulaC19H32N6O2
Molecular Weight376.51 g/mol
Exact Mass376.26
IUPAC Name1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnn(CC)c2)CN1C1CCN(C)CC1
InChIInChI=1S/C19H32N6O2/c1-4-20-19(27)17-10-15(13-25(17)16-6-8-23(3)9-7-16)22-18(26)14-11-21-24(5-2)12-14/h11-12,15-17H,4-10,13H2,1-3H3,(H,20,27)(H,22,26)/t15-,17-/m0/s1
InChIKeyPRVHEEZEVQDWTF-RDJZCZTQSA-N
XLogP0.31
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 74238460
N-ethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 156606450
4-chloro-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 72879381
(2S,4S)-4-acetamido-N-ethyl-1-[1-(2-fluorophenyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 72841621
(2S,4S)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 72886263
4-[(1-propylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524563
(2S,4R)-4-[(2-chlorophenyl)methylamino]-N-ethyl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 29256398
1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119511592
(2S,4R)-N-ethyl-4-[(2-fluorophenyl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 45215738
(2S,4S)-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-ethyl-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 74245482
1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide
CID 99776064
1-ethyl-N-[(1R,2R,4S)-2-hydroxy-4-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide
CID 156584290

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide (CID 74231149) is 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide is CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnn(CC)c2)CN1C1CCN(C)CC1.
What is the InChIKey of 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is PRVHEEZEVQDWTF-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H32N6O2/c1-4-20-19(27)17-10-15(13-25(17)16-6-8-23(3)9-7-16)22-18(26)14-11-21-24(5-2)12-14/h11-12,15-17H,4-10,13H2,1-3H3,(H,20,27)(H,22,26)/t15-,17-/m0/s1.
What are the key properties of 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 376.51 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 74231149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).