1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C18H22N4O2 — CID 70775694

IUPAC1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc2c(c1)c(CNC(=O)C1CC(=O)N(C3CC3)C1)nn2C
InChIInChI=1S/C18H22N4O2/c1-11-3-6-16-14(7-11)15(20-21(16)2)9-19-18(24)12-8-17(23)22(10-12)13-4-5-13/h3,6-7,12-13H,4-5,8-10H2,1-2H3,(H,19,24)
InChIKeyWHWLHPAYPLUXHX-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.51
Rot. Bonds4

About 1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide

1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 70775694) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID70775694
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc2c(c1)c(CNC(=O)C1CC(=O)N(C3CC3)C1)nn2C
InChIInChI=1S/C18H22N4O2/c1-11-3-6-16-14(7-11)15(20-21(16)2)9-19-18(24)12-8-17(23)22(10-12)13-4-5-13/h3,6-7,12-13H,4-5,8-10H2,1-2H3,(H,19,24)
InChIKeyWHWLHPAYPLUXHX-UHFFFAOYSA-N
XLogP1.51
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-cyclopentyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97118436
(3S)-N-[(1,5-dimethylindazol-3-yl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 97187456
1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172664883
(5S)-N-[(1,5-dimethylindazol-3-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95200527
1-cyclopentyl-N-[(2-methylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 86979242
1-cyclopropyl-N-[(2R)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide
CID 83032066
N-[(1,5-dimethylindazol-3-yl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 157017185
N-[(1,5-dimethylindazol-3-yl)methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 125176476
1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24816632
(3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 26326584
(3S)-N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 97124896
N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 70733611

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 70775694) is 1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc2c(c1)c(CNC(=O)C1CC(=O)N(C3CC3)C1)nn2C.
What is the InChIKey of 1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WHWLHPAYPLUXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-11-3-6-16-14(7-11)15(20-21(16)2)9-19-18(24)12-8-17(23)22(10-12)13-4-5-13/h3,6-7,12-13H,4-5,8-10H2,1-2H3,(H,19,24).
What are the key properties of 1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 70775694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).