4-chloro-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide

C16H24ClN5O3 — CID 72879381

IUPAC4-chloro-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2[nH]ncc2Cl)CN1C1CCOCC1
InChIInChI=1S/C16H24ClN5O3/c1-2-18-15(23)13-7-10(9-22(13)11-3-5-25-6-4-11)20-16(24)14-12(17)8-19-21-14/h8,10-11,13H,2-7,9H2,1H3,(H,18,23)(H,19,21)(H,20,24)/t10-,13-/m0/s1
InChIKeyHFDDWRIKJQEDHE-GWCFXTLKSA-N
MW369.85 g/mol
LogP0.55
Rot. Bonds5

About 4-chloro-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide

4-chloro-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 72879381) has the molecular formula C16H24ClN5O3 and a molecular weight of 369.85 g/mol. Its IUPAC name is 4-chloro-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID72879381
Molecular FormulaC16H24ClN5O3
Molecular Weight369.85 g/mol
Exact Mass369.16
IUPAC Name4-chloro-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2[nH]ncc2Cl)CN1C1CCOCC1
InChIInChI=1S/C16H24ClN5O3/c1-2-18-15(23)13-7-10(9-22(13)11-3-5-25-6-4-11)20-16(24)14-12(17)8-19-21-14/h8,10-11,13H,2-7,9H2,1H3,(H,18,23)(H,19,21)(H,20,24)/t10-,13-/m0/s1
InChIKeyHFDDWRIKJQEDHE-GWCFXTLKSA-N
XLogP0.55
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 72886263
(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
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methoxypyridine-4-carboxamide
CID 72937225
N-ethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 156606450
1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 74231149
N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-4-chloro-1H-pyrazole-5-carboxamide
CID 56740040
3-amino-N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 72907418
N-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 156605980
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 72874926
(2S,4R)-1-cyclopentyl-N-ethyl-4-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]pyrrolidine-2-carboxamide
CID 72890501
ethane;ethanol;N-ethylethanamine;4-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide
CID 143797168
(2S,4R)-4-[(2-chlorophenyl)methylamino]-N-ethyl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 29256398

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide (CID 72879381) is 4-chloro-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide is CCNC(=O)[C@@H]1C[C@H](NC(=O)c2[nH]ncc2Cl)CN1C1CCOCC1.
What is the InChIKey of 4-chloro-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is HFDDWRIKJQEDHE-GWCFXTLKSA-N. The full InChI is InChI=1S/C16H24ClN5O3/c1-2-18-15(23)13-7-10(9-22(13)11-3-5-25-6-4-11)20-16(24)14-12(17)8-19-21-14/h8,10-11,13H,2-7,9H2,1H3,(H,18,23)(H,19,21)(H,20,24)/t10-,13-/m0/s1.
What are the key properties of 4-chloro-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
4-chloro-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 72879381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).