(2R)-N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

C18H21ClN4O — CID 124606343

IUPAC(2R)-N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCn1cc([C@H]2CCCN2C(=O)N[C@H]2CCc3c(Cl)cccc32)cn1
InChIInChI=1S/C18H21ClN4O/c1-22-11-12(10-20-22)17-6-3-9-23(17)18(24)21-16-8-7-13-14(16)4-2-5-15(13)19/h2,4-5,10-11,16-17H,3,6-9H2,1H3,(H,21,24)/t16-,17+/m0/s1
InChIKeyLGHOFKZUKXQLQC-DLBZAZTESA-N
MW344.85 g/mol
LogP3.61
Rot. Bonds2

About (2R)-N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

(2R)-N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 124606343) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is (2R)-N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID124606343
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name(2R)-N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCn1cc([C@H]2CCCN2C(=O)N[C@H]2CCc3c(Cl)cccc32)cn1
InChIInChI=1S/C18H21ClN4O/c1-22-11-12(10-20-22)17-6-3-9-23(17)18(24)21-16-8-7-13-14(16)4-2-5-15(13)19/h2,4-5,10-11,16-17H,3,6-9H2,1H3,(H,21,24)/t16-,17+/m0/s1
InChIKeyLGHOFKZUKXQLQC-DLBZAZTESA-N
XLogP3.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

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CID 99852507
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CID 120924017
[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea
CID 129403037
3,3-dicyclopropyl-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95348351
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95336725
(2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 154803735
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95569418
2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 119877957
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95315443
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95569597

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide (CID 124606343) is (2R)-N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide is Cn1cc([C@H]2CCCN2C(=O)N[C@H]2CCc3c(Cl)cccc32)cn1.
What is the InChIKey of (2R)-N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is LGHOFKZUKXQLQC-DLBZAZTESA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-22-11-12(10-20-22)17-6-3-9-23(17)18(24)21-16-8-7-13-14(16)4-2-5-15(13)19/h2,4-5,10-11,16-17H,3,6-9H2,1H3,(H,21,24)/t16-,17+/m0/s1.
What are the key properties of (2R)-N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
(2R)-N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 124606343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).