2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid

C15H24N4O2 — CID 64785188

IUPAC2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(Cc2ccn(C3CCCC3)n2)CC1
InChIInChI=1S/C15H24N4O2/c20-15(21)12-18-9-7-17(8-10-18)11-13-5-6-19(16-13)14-3-1-2-4-14/h5-6,14H,1-4,7-12H2,(H,20,21)
InChIKeyPSHDABBFSWRZME-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.20
Rot. Bonds5

About 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid

2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid (PubChem CID 64785188) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid
PubChem CID64785188
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(Cc2ccn(C3CCCC3)n2)CC1
InChIInChI=1S/C15H24N4O2/c20-15(21)12-18-9-7-17(8-10-18)11-13-5-6-19(16-13)14-3-1-2-4-14/h5-6,14H,1-4,7-12H2,(H,20,21)
InChIKeyPSHDABBFSWRZME-UHFFFAOYSA-N
XLogP1.20
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]acetic acid
CID 64785777
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 64777495
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64784230
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 64776943
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 64783454
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 81002641
1-(2-chloroethyl)-4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepane
CID 64778323
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine
CID 64801952
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
N-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine
CID 64784735

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid (CID 64785188) is 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(Cc2ccn(C3CCCC3)n2)CC1.
What is the InChIKey of 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid?
The InChIKey is PSHDABBFSWRZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c20-15(21)12-18-9-7-17(8-10-18)11-13-5-6-19(16-13)14-3-1-2-4-14/h5-6,14H,1-4,7-12H2,(H,20,21).
What are the key properties of 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid?
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 64785188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).