4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid

C15H25N3O2 — CID 64783458

IUPAC4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCCC(CC)n1ccc(CN2CC(C)C(C(=O)O)C2)n1
InChIInChI=1S/C15H25N3O2/c1-4-13(5-2)18-7-6-12(16-18)9-17-8-11(3)14(10-17)15(19)20/h6-7,11,13-14H,4-5,8-10H2,1-3H3,(H,19,20)
InChIKeyRRHJMNZUPFKNAP-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.40
Rot. Bonds6

About 4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid

4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 64783458) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID64783458
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCCC(CC)n1ccc(CN2CC(C)C(C(=O)O)C2)n1
InChIInChI=1S/C15H25N3O2/c1-4-13(5-2)18-7-6-12(16-18)9-17-8-11(3)14(10-17)15(19)20/h6-7,11,13-14H,4-5,8-10H2,1-3H3,(H,19,20)
InChIKeyRRHJMNZUPFKNAP-UHFFFAOYSA-N
XLogP2.40
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114502495
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 64777101
3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-one
CID 114500471
2-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidine-4-carboxylic acid
CID 106744899
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 64783829
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]azepane-2-carboxylic acid
CID 64784233
(3S,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98534340
4-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 107044940
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-amine
CID 64785595
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721961
4-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63720352
2,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazine
CID 64845272

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid (CID 64783458) is 4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid is CCC(CC)n1ccc(CN2CC(C)C(C(=O)O)C2)n1.
What is the InChIKey of 4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RRHJMNZUPFKNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-13(5-2)18-7-6-12(16-18)9-17-8-11(3)14(10-17)15(19)20/h6-7,11,13-14H,4-5,8-10H2,1-3H3,(H,19,20).
What are the key properties of 4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 279.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 64783458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).