1-methyl-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylic acid

C15H17N3O2 — CID 83853464

IUPAC1-methyl-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H17N3O2/c1-17-14(10-13(16-17)15(19)20)11-4-6-12(7-5-11)18-8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3,(H,19,20)
InChIKeySKNGGZNQOOEBQN-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.39
Rot. Bonds3

About 1-methyl-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylic acid

1-methyl-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylic acid (PubChem CID 83853464) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-methyl-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylic acid
PubChem CID83853464
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-methyl-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H17N3O2/c1-17-14(10-13(16-17)15(19)20)11-4-6-12(7-5-11)18-8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3,(H,19,20)
InChIKeySKNGGZNQOOEBQN-UHFFFAOYSA-N
XLogP2.39
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carboxylic acid
CID 112710654
[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110299520
5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117461912
5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 71292511
5-(2-hydroxy-5-morpholin-4-ylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136966493
5-(3-chloro-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 168912055
1-methyl-5-quinoxalin-6-ylpyrazole-3-carboxylic acid
CID 117388457
1-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)pyrazole-3-carboxylic acid
CID 117396362
5-[3-(difluoromethyl)-4-methylphenyl]-1-methylpyrazole-3-carboxylic acid
CID 117419287
5-(2-bromo-6-pyrrolidin-1-ylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 115111492
5-[4-[2-(1-hydroxycyclopropyl)ethyl]phenyl]-1-methylpyrazole-3-carboxylic acid
CID 115111419
1-methyl-5-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrazole-3-carboxylic acid
CID 117459365

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-methyl-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylic acid (CID 83853464) is 1-methyl-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-methyl-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylic acid is Cn1nc(C(=O)O)cc1-c1ccc(N2CCCC2)cc1.
What is the InChIKey of 1-methyl-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylic acid?
The InChIKey is SKNGGZNQOOEBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-17-14(10-13(16-17)15(19)20)11-4-6-12(7-5-11)18-8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3,(H,19,20).
What are the key properties of 1-methyl-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylic acid?
1-methyl-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 83853464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).