5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazole-3-carboxylic acid

C17H22N4O3 — CID 154746422

IUPAC5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazole-3-carboxylic acid
SMILESCOc1cccc(N2CCC(NCc3cc(C(=O)O)nn3C)C2)c1
InChIInChI=1S/C17H22N4O3/c1-20-14(9-16(19-20)17(22)23)10-18-12-6-7-21(11-12)13-4-3-5-15(8-13)24-2/h3-5,8-9,12,18H,6-7,10-11H2,1-2H3,(H,22,23)
InChIKeyWJCULFSRNXNGLX-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.50
Rot. Bonds6

About 5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazole-3-carboxylic acid

5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazole-3-carboxylic acid (PubChem CID 154746422) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazole-3-carboxylic acid
PubChem CID154746422
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazole-3-carboxylic acid
SMILESCOc1cccc(N2CCC(NCc3cc(C(=O)O)nn3C)C2)c1
InChIInChI=1S/C17H22N4O3/c1-20-14(9-16(19-20)17(22)23)10-18-12-6-7-21(11-12)13-4-3-5-15(8-13)24-2/h3-5,8-9,12,18H,6-7,10-11H2,1-2H3,(H,22,23)
InChIKeyWJCULFSRNXNGLX-UHFFFAOYSA-N
XLogP1.50
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]acetic acid
CID 117004204
(3S)-1-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875723
6-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053861
(2S,5R)-5-(aminomethyl)-N-[1-(3-methoxyphenyl)pyrrolidin-3-yl]oxolane-2-carboxamide;dihydrochloride
CID 120799629
(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-phenylpyrrolidin-3-amine
CID 124546130
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxyphenyl)piperidin-4-amine;hydrochloride
CID 56799978
3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004298
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-2-(3-methyl-4-pyridinyl)acetamide
CID 124618191
(3S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3-methoxyphenyl)piperidin-3-amine
CID 124622673
4-(aminomethyl)-N-[1-(3-methoxyphenyl)pyrrolidin-3-yl]oxane-4-carboxamide
CID 120940743

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazole-3-carboxylic acid (CID 154746422) is 5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazole-3-carboxylic acid is COc1cccc(N2CCC(NCc3cc(C(=O)O)nn3C)C2)c1.
What is the InChIKey of 5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazole-3-carboxylic acid?
The InChIKey is WJCULFSRNXNGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-20-14(9-16(19-20)17(22)23)10-18-12-6-7-21(11-12)13-4-3-5-15(8-13)24-2/h3-5,8-9,12,18H,6-7,10-11H2,1-2H3,(H,22,23).
What are the key properties of 5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazole-3-carboxylic acid?
5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazole-3-carboxylic acid has a molecular weight of 330.39 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 154746422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).