2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid

C14H21N3O2 — CID 64784425

IUPAC2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(Cc2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C14H21N3O2/c18-14(19)7-11-8-16(9-11)10-12-5-6-17(15-12)13-3-1-2-4-13/h5-6,11,13H,1-4,7-10H2,(H,18,19)
InChIKeyWEGLGFRCCCNXHH-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.90
Rot. Bonds5

About 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid

2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid (PubChem CID 64784425) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid
PubChem CID64784425
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(Cc2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C14H21N3O2/c18-14(19)7-11-8-16(9-11)10-12-5-6-17(15-12)13-3-1-2-4-13/h5-6,11,13H,1-4,7-10H2,(H,18,19)
InChIKeyWEGLGFRCCCNXHH-UHFFFAOYSA-N
XLogP1.90
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]acetic acid
CID 64785777
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid
CID 64785188
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 64783454
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64784230
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 64776943
3-[[3-(chloromethyl)pyrrolidin-1-yl]methyl]-1-cyclohexylpyrazole
CID 64779907
1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 83191883
3-chloro-1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine
CID 64779699
4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide
CID 75382047
[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 71916757

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid (CID 64784425) is 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid is O=C(O)CC1CN(Cc2ccn(C3CCCC3)n2)C1.
What is the InChIKey of 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid?
The InChIKey is WEGLGFRCCCNXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-14(19)7-11-8-16(9-11)10-12-5-6-17(15-12)13-3-1-2-4-13/h5-6,11,13H,1-4,7-10H2,(H,18,19).
What are the key properties of 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid?
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64784425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).