1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid

C15H23N3O2 — CID 64784230

IUPAC1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccn(C3CCCCC3)n2)C1
InChIInChI=1S/C15H23N3O2/c19-15(20)12-6-8-17(10-12)11-13-7-9-18(16-13)14-4-2-1-3-5-14/h7,9,12,14H,1-6,8,10-11H2,(H,19,20)
InChIKeyLRSGETIZDUQKQD-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.29
Rot. Bonds4

About 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid

1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 64784230) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID64784230
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccn(C3CCCCC3)n2)C1
InChIInChI=1S/C15H23N3O2/c19-15(20)12-6-8-17(10-12)11-13-7-9-18(16-13)14-4-2-1-3-5-14/h7,9,12,14H,1-6,8,10-11H2,(H,19,20)
InChIKeyLRSGETIZDUQKQD-UHFFFAOYSA-N
XLogP2.29
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 83191883
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]acetic acid
CID 64785777
3-chloro-1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine
CID 64779699
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid
CID 64785188
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 64776943
1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperidin-4-amine
CID 79868446
1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidine-3-carbothioamide
CID 64801483
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid
CID 64784425
3-[[3-(chloromethyl)pyrrolidin-1-yl]methyl]-1-cyclohexylpyrazole
CID 64779907
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
3-[(1-cyclohexylpyrazol-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 115314453

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid (CID 64784230) is 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(Cc2ccn(C3CCCCC3)n2)C1.
What is the InChIKey of 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is LRSGETIZDUQKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-15(20)12-6-8-17(10-12)11-13-7-9-18(16-13)14-4-2-1-3-5-14/h7,9,12,14H,1-6,8,10-11H2,(H,19,20).
What are the key properties of 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 277.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 64784230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).