4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide

C13H23N5O2S — CID 75382047

IUPAC4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(Cc2ccn(C3CCCC3)n2)CC1
InChIInChI=1S/C13H23N5O2S/c14-21(19,20)17-9-7-16(8-10-17)11-12-5-6-18(15-12)13-3-1-2-4-13/h5-6,13H,1-4,7-11H2,(H2,14,19,20)
InChIKeyVSAXFUQZERJLFT-UHFFFAOYSA-N
MW313.43 g/mol
LogP0.32
Rot. Bonds4

About 4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide

4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide (PubChem CID 75382047) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide
PubChem CID75382047
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC Name4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(Cc2ccn(C3CCCC3)n2)CC1
InChIInChI=1S/C13H23N5O2S/c14-21(19,20)17-9-7-16(8-10-17)11-12-5-6-18(15-12)13-3-1-2-4-13/h5-6,13H,1-4,7-11H2,(H2,14,19,20)
InChIKeyVSAXFUQZERJLFT-UHFFFAOYSA-N
XLogP0.32
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine
CID 64801952
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-(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]ethanol
CID 64777495
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 71916757
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 81002641
1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidine-4-carboximidamide
CID 64783767
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
N-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1-oxo-1,4-thiazinan-1-ylidene]methanesulfonamide
CID 154841188
N-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine
CID 64784735

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide (CID 75382047) is 4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(Cc2ccn(C3CCCC3)n2)CC1.
What is the InChIKey of 4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide?
The InChIKey is VSAXFUQZERJLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c14-21(19,20)17-9-7-16(8-10-17)11-12-5-6-18(15-12)13-3-1-2-4-13/h5-6,13H,1-4,7-11H2,(H2,14,19,20).
What are the key properties of 4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide?
4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide has a molecular weight of 313.43 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 75382047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).