[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone

C16H18N6O4S — CID 19515154

IUPAC[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
SMILESCn1cc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4ccco4)[nH]n3)CC2)cn1
InChIInChI=1S/C16H18N6O4S/c1-20-11-12(10-17-20)27(24,25)22-6-4-21(5-7-22)16(23)14-9-13(18-19-14)15-3-2-8-26-15/h2-3,8-11H,4-7H2,1H3,(H,18,19)
InChIKeyUGRGEEUUXXRCBV-UHFFFAOYSA-N
MW390.43 g/mol
LogP0.55
Rot. Bonds4

About [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 19515154) has the molecular formula C16H18N6O4S and a molecular weight of 390.43 g/mol. Its IUPAC name is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID19515154
Molecular FormulaC16H18N6O4S
Molecular Weight390.43 g/mol
Exact Mass390.11
IUPAC Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
SMILESCn1cc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4ccco4)[nH]n3)CC2)cn1
InChIInChI=1S/C16H18N6O4S/c1-20-11-12(10-17-20)27(24,25)22-6-4-21(5-7-22)16(23)14-9-13(18-19-14)15-3-2-8-26-15/h2-3,8-11H,4-7H2,1H3,(H,18,19)
InChIKeyUGRGEEUUXXRCBV-UHFFFAOYSA-N
XLogP0.55
TPSA117.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 35554692
3-[4-(1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one
CID 91629403
[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 51896800
[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 51896797
1,4-diazepan-1-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 119417177
3-azabicyclo[4.1.0]heptan-3-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 166245024
(2-fluorophenyl)-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]methanone
CID 20910914
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759149
(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 55905760
1-(furan-2-ylmethyl)-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 19582895
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 86985248
1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118877

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone (CID 19515154) is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone is Cn1cc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4ccco4)[nH]n3)CC2)cn1.
What is the InChIKey of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is UGRGEEUUXXRCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O4S/c1-20-11-12(10-17-20)27(24,25)22-6-4-21(5-7-22)16(23)14-9-13(18-19-14)15-3-2-8-26-15/h2-3,8-11H,4-7H2,1H3,(H,18,19).
What are the key properties of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 390.43 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 19515154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).