(2S,4R)-N,N-diethyl-4-[(2-propan-2-yloxyacetyl)amino]-1-(1H-pyrazole-5-carbonyl)pyrrolidine-2-carboxamide

C18H29N5O4 — CID 72846828

IUPAC(2S,4R)-N,N-diethyl-4-[(2-propan-2-yloxyacetyl)amino]-1-(1H-pyrazole-5-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)COC(C)C)CN1C(=O)c1ccn[nH]1
InChIInChI=1S/C18H29N5O4/c1-5-22(6-2)18(26)15-9-13(20-16(24)11-27-12(3)4)10-23(15)17(25)14-7-8-19-21-14/h7-8,12-13,15H,5-6,9-11H2,1-4H3,(H,19,21)(H,20,24)/t13-,15+/m1/s1
InChIKeyIDMPCMIOTWPSFA-HIFRSBDPSA-N
MW379.46 g/mol
LogP0.40
Rot. Bonds8

About (2S,4R)-N,N-diethyl-4-[(2-propan-2-yloxyacetyl)amino]-1-(1H-pyrazole-5-carbonyl)pyrrolidine-2-carboxamide

(2S,4R)-N,N-diethyl-4-[(2-propan-2-yloxyacetyl)amino]-1-(1H-pyrazole-5-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 72846828) has the molecular formula C18H29N5O4 and a molecular weight of 379.46 g/mol. Its IUPAC name is (2S,4R)-N,N-diethyl-4-[(2-propan-2-yloxyacetyl)amino]-1-(1H-pyrazole-5-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N,N-diethyl-4-[(2-propan-2-yloxyacetyl)amino]-1-(1H-pyrazole-5-carbonyl)pyrrolidine-2-carboxamide
PubChem CID72846828
Molecular FormulaC18H29N5O4
Molecular Weight379.46 g/mol
Exact Mass379.22
IUPAC Name(2S,4R)-N,N-diethyl-4-[(2-propan-2-yloxyacetyl)amino]-1-(1H-pyrazole-5-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)COC(C)C)CN1C(=O)c1ccn[nH]1
InChIInChI=1S/C18H29N5O4/c1-5-22(6-2)18(26)15-9-13(20-16(24)11-27-12(3)4)10-23(15)17(25)14-7-8-19-21-14/h7-8,12-13,15H,5-6,9-11H2,1-4H3,(H,19,21)(H,20,24)/t13-,15+/m1/s1
InChIKeyIDMPCMIOTWPSFA-HIFRSBDPSA-N
XLogP0.40
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-N,N-diethyl-1-(4-fluorobenzoyl)-4-[(2-methoxyacetyl)amino]pyrrolidine-2-carboxamide
CID 72837789
(2S,4R)-4-[(2-ethoxyacetyl)amino]-N,N-diethyl-1-(furan-3-carbonyl)pyrrolidine-2-carboxamide
CID 72884874
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 72852892
(2S,4R)-N,N-diethyl-1-(3-methylimidazole-4-carbonyl)-4-(propanoylamino)pyrrolidine-2-carboxamide
CID 72839804
(2S,4S)-N,N-diethyl-1-(3-fluorobenzoyl)-4-[(2-hydroxyacetyl)amino]pyrrolidine-2-carboxamide
CID 72864361
N-[(3R,5S)-5-(ethylcarbamoyl)-1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 72917004
N-[(3R,5S)-5-(diethylcarbamoyl)-1-(3-hydroxypropanoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 72854792
2-propan-2-yloxy-N-(1H-pyrazol-5-yl)acetamide
CID 112687554
(2S,4R)-1-[(2-amino-3-pyridinyl)methyl]-N-ethyl-4-[(2-propan-2-yloxyacetyl)amino]pyrrolidine-2-carboxamide
CID 72864213
N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 72839233
N-[(3R,5S)-1-(cyclobutanecarbonyl)-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide
CID 72924058
methyl (3S,3aS,6aR)-2-(1H-pyrazole-5-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate
CID 129429529

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N,N-diethyl-4-[(2-propan-2-yloxyacetyl)amino]-1-(1H-pyrazole-5-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N,N-diethyl-4-[(2-propan-2-yloxyacetyl)amino]-1-(1H-pyrazole-5-carbonyl)pyrrolidine-2-carboxamide (CID 72846828) is (2S,4R)-N,N-diethyl-4-[(2-propan-2-yloxyacetyl)amino]-1-(1H-pyrazole-5-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N,N-diethyl-4-[(2-propan-2-yloxyacetyl)amino]-1-(1H-pyrazole-5-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N,N-diethyl-4-[(2-propan-2-yloxyacetyl)amino]-1-(1H-pyrazole-5-carbonyl)pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)COC(C)C)CN1C(=O)c1ccn[nH]1.
What is the InChIKey of (2S,4R)-N,N-diethyl-4-[(2-propan-2-yloxyacetyl)amino]-1-(1H-pyrazole-5-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is IDMPCMIOTWPSFA-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H29N5O4/c1-5-22(6-2)18(26)15-9-13(20-16(24)11-27-12(3)4)10-23(15)17(25)14-7-8-19-21-14/h7-8,12-13,15H,5-6,9-11H2,1-4H3,(H,19,21)(H,20,24)/t13-,15+/m1/s1.
What are the key properties of (2S,4R)-N,N-diethyl-4-[(2-propan-2-yloxyacetyl)amino]-1-(1H-pyrazole-5-carbonyl)pyrrolidine-2-carboxamide?
(2S,4R)-N,N-diethyl-4-[(2-propan-2-yloxyacetyl)amino]-1-(1H-pyrazole-5-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N,N-diethyl-4-[(2-propan-2-yloxyacetyl)amino]-1-(1H-pyrazole-5-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 72846828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).