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

C18H29N5O3 — CID 72851976

IUPAC1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccn(CC)n2)CN1C1CCOCC1
InChIInChI=1S/C18H29N5O3/c1-3-19-18(25)16-11-13(12-23(16)14-6-9-26-10-7-14)20-17(24)15-5-8-22(4-2)21-15/h5,8,13-14,16H,3-4,6-7,9-12H2,1-2H3,(H,19,25)(H,20,24)/t13-,16-/m0/s1
InChIKeyDLLGWEIAEOIMIC-BBRMVZONSA-N
MW363.46 g/mol
LogP0.39
Rot. Bonds6

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

1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide (PubChem CID 72851976) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide
PubChem CID72851976
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccn(CC)n2)CN1C1CCOCC1
InChIInChI=1S/C18H29N5O3/c1-3-19-18(25)16-11-13(12-23(16)14-6-9-26-10-7-14)20-17(24)15-5-8-22(4-2)21-15/h5,8,13-14,16H,3-4,6-7,9-12H2,1-2H3,(H,19,25)(H,20,24)/t13-,16-/m0/s1
InChIKeyDLLGWEIAEOIMIC-BBRMVZONSA-N
XLogP0.39
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide
CID 1224835
(R)-1-Methyl-N-((tetrahydrofuran-2-yl)methyl)-1H-pyrazole-3-carboxamide
CID 1224834
1-methyl-N-[1-(tetrahydro-2-furanyl)ethyl]-1H-pyrazole-5-carboxamide
CID 4770715
1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 17144219
2-methyl-6-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyridin-4-one
CID 110257092
[(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875994
[(2S,4S)-1-(2-ethylpyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875996
[(2S,4S)-1-(1-ethylpyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875997
4-Fluoro-N-(2-methoxyethyl)-1-(1-methyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 124053494
N-(6-methoxyhexyl)-2-methylpyrazole-3-carboxamide
CID 137640519

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide (CID 72851976) is 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide is CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccn(CC)n2)CN1C1CCOCC1.
What is the InChIKey of 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is DLLGWEIAEOIMIC-BBRMVZONSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-3-19-18(25)16-11-13(12-23(16)14-6-9-26-10-7-14)20-17(24)15-5-8-22(4-2)21-15/h5,8,13-14,16H,3-4,6-7,9-12H2,1-2H3,(H,19,25)(H,20,24)/t13-,16-/m0/s1.
What are the key properties of 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 0.39, 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-(oxan-4-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 72851976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).