N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide

C19H32N6O2 — CID 74238460

IUPACN-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccnn2C)CN1C1CCN(CC)CC1
InChIInChI=1S/C19H32N6O2/c1-4-20-18(26)17-12-14(22-19(27)16-6-9-21-23(16)3)13-25(17)15-7-10-24(5-2)11-8-15/h6,9,14-15,17H,4-5,7-8,10-13H2,1-3H3,(H,20,26)(H,22,27)/t14-,17-/m0/s1
InChIKeyYKEIAVONIZMSMU-YOEHRIQHSA-N
MW376.51 g/mol
LogP0.21
Rot. Bonds6

About N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide

N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 74238460) has the molecular formula C19H32N6O2 and a molecular weight of 376.51 g/mol. Its IUPAC name is N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide
PubChem CID74238460
Molecular FormulaC19H32N6O2
Molecular Weight376.51 g/mol
Exact Mass376.26
IUPAC NameN-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccnn2C)CN1C1CCN(CC)CC1
InChIInChI=1S/C19H32N6O2/c1-4-20-18(26)17-12-14(22-19(27)16-6-9-21-23(16)3)13-25(17)15-7-10-24(5-2)11-8-15/h6,9,14-15,17H,4-5,7-8,10-13H2,1-3H3,(H,20,26)(H,22,27)/t14-,17-/m0/s1
InChIKeyYKEIAVONIZMSMU-YOEHRIQHSA-N
XLogP0.21
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 ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 74231149
(2S,4S)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 72886263
4-chloro-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 72879381
2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide
CID 62920465
(2S,4S)-4-acetamido-N-ethyl-1-[1-(2-fluorophenyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 72841621
(2S,4R)-4-[(2-chlorophenyl)methylamino]-N-ethyl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 29256398
(2S,4R)-N-ethyl-4-[(2-fluorophenyl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 45215738
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide
CID 47084312
2-methyl-N-(2-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 106995091
(2S,4S)-4-[(2,4-difluorophenyl)methylamino]-N-ethyl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 29089077
N-(3-fluorocyclopentyl)-2-methylpyrazole-3-carboxamide
CID 126790932
N-[(1S,3R)-3-fluorocyclopentyl]-2-methylpyrazole-3-carboxamide
CID 129348902

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide (CID 74238460) is N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide is CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccnn2C)CN1C1CCN(CC)CC1.
What is the InChIKey of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is YKEIAVONIZMSMU-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H32N6O2/c1-4-20-18(26)17-12-14(22-19(27)16-6-9-21-23(16)3)13-25(17)15-7-10-24(5-2)11-8-15/h6,9,14-15,17H,4-5,7-8,10-13H2,1-3H3,(H,20,26)(H,22,27)/t14-,17-/m0/s1.
What are the key properties of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide?
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 376.51 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 74238460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).