1-(1-phenyl-4-propoxypyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid

C18H21N3O4 — CID 119357004

IUPAC1-(1-phenyl-4-propoxypyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCCOc1cn(-c2ccccc2)nc1C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C18H21N3O4/c1-2-11-25-15-12-21(13-7-4-3-5-8-13)19-16(15)17(22)20-10-6-9-14(20)18(23)24/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,23,24)
InChIKeyKAGZZNKTEKSXEI-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.35
Rot. Bonds6

About 1-(1-phenyl-4-propoxypyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid

1-(1-phenyl-4-propoxypyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 119357004) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-(1-phenyl-4-propoxypyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-phenyl-4-propoxypyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID119357004
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name1-(1-phenyl-4-propoxypyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCCOc1cn(-c2ccccc2)nc1C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C18H21N3O4/c1-2-11-25-15-12-21(13-7-4-3-5-8-13)19-16(15)17(22)20-10-6-9-14(20)18(23)24/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,23,24)
InChIKeyKAGZZNKTEKSXEI-UHFFFAOYSA-N
XLogP2.35
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42109754
(3S)-1-(4-ethoxy-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 99638837
N-(1-ethylpiperidin-4-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 138996163
N-methyl-1-phenyl-N-piperidin-4-yl-4-propoxypyrazole-3-carboxamide;hydrochloride
CID 119444107
(2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921319
(2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 28819596
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 138995998
N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 139000172
N-methylsulfonyl-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 146154385
1-(3-propoxybenzoyl)piperidine-2-carboxylic acid
CID 62406215
(2S)-1-(1-phenyltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61136582
1-(1-phenylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 119175836

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyl-4-propoxypyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-phenyl-4-propoxypyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 119357004) is 1-(1-phenyl-4-propoxypyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-phenyl-4-propoxypyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-phenyl-4-propoxypyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid is CCCOc1cn(-c2ccccc2)nc1C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(1-phenyl-4-propoxypyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is KAGZZNKTEKSXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-2-11-25-15-12-21(13-7-4-3-5-8-13)19-16(15)17(22)20-10-6-9-14(20)18(23)24/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,23,24).
What are the key properties of 1-(1-phenyl-4-propoxypyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
1-(1-phenyl-4-propoxypyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyl-4-propoxypyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119357004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).