1-propan-2-yl-4-(1H-pyrazol-4-ylsulfonyl)piperazine

C10H18N4O2S — CID 47267410

IUPAC1-propan-2-yl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
SMILESCC(C)N1CCN(S(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C10H18N4O2S/c1-9(2)13-3-5-14(6-4-13)17(15,16)10-7-11-12-8-10/h7-9H,3-6H2,1-2H3,(H,11,12)
InChIKeyHXQQFDWKZMEFCM-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.12
Rot. Bonds3

About 1-propan-2-yl-4-(1H-pyrazol-4-ylsulfonyl)piperazine

1-propan-2-yl-4-(1H-pyrazol-4-ylsulfonyl)piperazine (PubChem CID 47267410) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-propan-2-yl-4-(1H-pyrazol-4-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-propan-2-yl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
PubChem CID47267410
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name1-propan-2-yl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
SMILESCC(C)N1CCN(S(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C10H18N4O2S/c1-9(2)13-3-5-14(6-4-13)17(15,16)10-7-11-12-8-10/h7-9H,3-6H2,1-2H3,(H,11,12)
InChIKeyHXQQFDWKZMEFCM-UHFFFAOYSA-N
XLogP0.12
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
The IUPAC name of 1-propan-2-yl-4-(1H-pyrazol-4-ylsulfonyl)piperazine (CID 47267410) is 1-propan-2-yl-4-(1H-pyrazol-4-ylsulfonyl)piperazine.
What is the SMILES notation for 1-propan-2-yl-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
The canonical SMILES for 1-propan-2-yl-4-(1H-pyrazol-4-ylsulfonyl)piperazine is CC(C)N1CCN(S(=O)(=O)c2cn[nH]c2)CC1.
What is the InChIKey of 1-propan-2-yl-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
The InChIKey is HXQQFDWKZMEFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-9(2)13-3-5-14(6-4-13)17(15,16)10-7-11-12-8-10/h7-9H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 1-propan-2-yl-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
1-propan-2-yl-4-(1H-pyrazol-4-ylsulfonyl)piperazine has a molecular weight of 258.35 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(1H-pyrazol-4-ylsulfonyl)piperazine is sourced from PubChem (CID 47267410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).