1-[[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

C17H19FN4O3 — CID 122090400

IUPAC1-[[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2ccnn2Cc2ccc(F)cc2)C1
InChIInChI=1S/C17H19FN4O3/c1-17(15(23)24)7-9-21(11-17)16(25)20-14-6-8-19-22(14)10-12-2-4-13(18)5-3-12/h2-6,8H,7,9-11H2,1H3,(H,20,25)(H,23,24)
InChIKeyRWUOAONYPOQALV-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.40
Rot. Bonds4

About 1-[[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122090400) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is 1-[[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122090400
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name1-[[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2ccnn2Cc2ccc(F)cc2)C1
InChIInChI=1S/C17H19FN4O3/c1-17(15(23)24)7-9-21(11-17)16(25)20-14-6-8-19-22(14)10-12-2-4-13(18)5-3-12/h2-6,8H,7,9-11H2,1H3,(H,20,25)(H,23,24)
InChIKeyRWUOAONYPOQALV-UHFFFAOYSA-N
XLogP2.40
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122090578
1-[(2-tert-butylpyrazol-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122090412
1-[(2-chloro-5-fluorophenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 107530206
1-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122090384
1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63143059
N-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]-1,8-dioxa-4-azaspiro[5.5]undecane-4-carboxamide
CID 139000153
N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 136534543
1-[(4-fluoro-2-iodophenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 79767001
N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 75524666
3-methyl-1-[[4-(methylsulfanylmethyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122079106
3-methyl-1-[(4-pyrazol-1-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075319
1-[1-(4-bromophenyl)cyclopropyl]-3-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea
CID 167941405

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 122090400) is 1-[[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)Nc2ccnn2Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is RWUOAONYPOQALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-17(15(23)24)7-9-21(11-17)16(25)20-14-6-8-19-22(14)10-12-2-4-13(18)5-3-12/h2-6,8H,7,9-11H2,1H3,(H,20,25)(H,23,24).
What are the key properties of 1-[[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 346.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122090400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).