(2R)-1-(3,5-dichlorobenzoyl)-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrrolidine-2-carboxamide

C19H21Cl2N5O2 — CID 99813664

IUPAC(2R)-1-(3,5-dichlorobenzoyl)-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1nnc2n1CCC2)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H21Cl2N5O2/c20-13-9-12(10-14(21)11-13)19(28)25-7-1-3-15(25)18(27)22-6-5-17-24-23-16-4-2-8-26(16)17/h9-11,15H,1-8H2,(H,22,27)/t15-/m1/s1
InChIKeyRSRUFAAWZQYIGZ-OAHLLOKOSA-N
MW422.32 g/mol
LogP2.49
Rot. Bonds5

About (2R)-1-(3,5-dichlorobenzoyl)-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrrolidine-2-carboxamide

(2R)-1-(3,5-dichlorobenzoyl)-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 99813664) has the molecular formula C19H21Cl2N5O2 and a molecular weight of 422.32 g/mol. Its IUPAC name is (2R)-1-(3,5-dichlorobenzoyl)-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(3,5-dichlorobenzoyl)-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID99813664
Molecular FormulaC19H21Cl2N5O2
Molecular Weight422.32 g/mol
Exact Mass421.11
IUPAC Name(2R)-1-(3,5-dichlorobenzoyl)-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1nnc2n1CCC2)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H21Cl2N5O2/c20-13-9-12(10-14(21)11-13)19(28)25-7-1-3-15(25)18(27)22-6-5-17-24-23-16-4-2-8-26(16)17/h9-11,15H,1-8H2,(H,22,27)/t15-/m1/s1
InChIKeyRSRUFAAWZQYIGZ-OAHLLOKOSA-N
XLogP2.49
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dichlorobenzoyl)-N-[3-(methylamino)propyl]pyrrolidine-2-carboxamide
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(2S)-1-(3,5-dichlorobenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 51938352
N-[[4-(carbamoylamino)phenyl]methyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 55615927
methyl (2S)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 2337414
3-[[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]butanoic acid
CID 119221005
1-(3,5-dichlorobenzoyl)-N-(4-hydroxybutan-2-yl)pyrrolidine-2-carboxamide
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CID 51119517
3-[[1-(3,4-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]propanoic acid
CID 119351543
N-(2-amino-1-cyclopropylethyl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 119612884
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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,5-dichlorobenzoyl)-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(3,5-dichlorobenzoyl)-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrrolidine-2-carboxamide (CID 99813664) is (2R)-1-(3,5-dichlorobenzoyl)-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(3,5-dichlorobenzoyl)-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(3,5-dichlorobenzoyl)-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrrolidine-2-carboxamide is O=C(NCCc1nnc2n1CCC2)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (2R)-1-(3,5-dichlorobenzoyl)-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is RSRUFAAWZQYIGZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21Cl2N5O2/c20-13-9-12(10-14(21)11-13)19(28)25-7-1-3-15(25)18(27)22-6-5-17-24-23-16-4-2-8-26(16)17/h9-11,15H,1-8H2,(H,22,27)/t15-/m1/s1.
What are the key properties of (2R)-1-(3,5-dichlorobenzoyl)-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
(2R)-1-(3,5-dichlorobenzoyl)-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 422.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,5-dichlorobenzoyl)-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 99813664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).