6-(1H-pyrazol-4-yl)piperazin-2-one;dihydrochloride

C7H12Cl2N4O — CID 165455541

IUPAC6-(1H-pyrazol-4-yl)piperazin-2-one;dihydrochloride
SMILESCl.Cl.O=C1CNCC(c2cn[nH]c2)N1
InChIInChI=1S/C7H10N4O.2ClH/c12-7-4-8-3-6(11-7)5-1-9-10-2-5;;/h1-2,6,8H,3-4H2,(H,9,10)(H,11,12);2*1H
InChIKeyPQSMOUVIVAWFFN-UHFFFAOYSA-N
MW239.11 g/mol
LogP0.01
Rot. Bonds1

About 6-(1H-pyrazol-4-yl)piperazin-2-one;dihydrochloride

6-(1H-pyrazol-4-yl)piperazin-2-one;dihydrochloride (PubChem CID 165455541) has the molecular formula C7H12Cl2N4O and a molecular weight of 239.11 g/mol. Its IUPAC name is 6-(1H-pyrazol-4-yl)piperazin-2-one;dihydrochloride.

Molecular Properties

Compound Name6-(1H-pyrazol-4-yl)piperazin-2-one;dihydrochloride
PubChem CID165455541
Molecular FormulaC7H12Cl2N4O
Molecular Weight239.11 g/mol
Exact Mass238.04
IUPAC Name6-(1H-pyrazol-4-yl)piperazin-2-one;dihydrochloride
SMILESCl.Cl.O=C1CNCC(c2cn[nH]c2)N1
InChIInChI=1S/C7H10N4O.2ClH/c12-7-4-8-3-6(11-7)5-1-9-10-2-5;;/h1-2,6,8H,3-4H2,(H,9,10)(H,11,12);2*1H
InChIKeyPQSMOUVIVAWFFN-UHFFFAOYSA-N
XLogP0.01
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-pyrazol-4-yl)piperazine
CID 131060075
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 43663763
2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
CID 119069590
6-(1H-Pyrazol-4-yl)piperazin-2-one
CID 139343789
2,2,2-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103855822
2-amino-3,3,3-trifluoro-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212822
2,2-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 107168164
N-[1-(1H-pyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 113339606
N-(cyclopropylmethyl)-2-[4-(3,3-difluorobutanoyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]-2-oxoacetamide
CID 167795202
N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856248
N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
CID 126809556
1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one
CID 129259501

Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrazol-4-yl)piperazin-2-one;dihydrochloride?
The IUPAC name of 6-(1H-pyrazol-4-yl)piperazin-2-one;dihydrochloride (CID 165455541) is 6-(1H-pyrazol-4-yl)piperazin-2-one;dihydrochloride.
What is the SMILES notation for 6-(1H-pyrazol-4-yl)piperazin-2-one;dihydrochloride?
The canonical SMILES for 6-(1H-pyrazol-4-yl)piperazin-2-one;dihydrochloride is Cl.Cl.O=C1CNCC(c2cn[nH]c2)N1.
What is the InChIKey of 6-(1H-pyrazol-4-yl)piperazin-2-one;dihydrochloride?
The InChIKey is PQSMOUVIVAWFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O.2ClH/c12-7-4-8-3-6(11-7)5-1-9-10-2-5;;/h1-2,6,8H,3-4H2,(H,9,10)(H,11,12);2*1H.
What are the key properties of 6-(1H-pyrazol-4-yl)piperazin-2-one;dihydrochloride?
6-(1H-pyrazol-4-yl)piperazin-2-one;dihydrochloride has a molecular weight of 239.11 g/mol, XLogP of 0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrazol-4-yl)piperazin-2-one;dihydrochloride is sourced from PubChem (CID 165455541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).