(1-propylpyrazol-4-yl)-(thiadiazol-5-yl)methanone

C9H10N4OS — CID 105082119

IUPAC(1-propylpyrazol-4-yl)-(thiadiazol-5-yl)methanone
SMILESCCCn1cc(C(=O)c2cnns2)cn1
InChIInChI=1S/C9H10N4OS/c1-2-3-13-6-7(4-11-13)9(14)8-5-10-12-15-8/h4-6H,2-3H2,1H3
InChIKeyZRNOXTUXYHAGII-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.38
Rot. Bonds4

About (1-propylpyrazol-4-yl)-(thiadiazol-5-yl)methanone

(1-propylpyrazol-4-yl)-(thiadiazol-5-yl)methanone (PubChem CID 105082119) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is (1-propylpyrazol-4-yl)-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(1-propylpyrazol-4-yl)-(thiadiazol-5-yl)methanone
PubChem CID105082119
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name(1-propylpyrazol-4-yl)-(thiadiazol-5-yl)methanone
SMILESCCCn1cc(C(=O)c2cnns2)cn1
InChIInChI=1S/C9H10N4OS/c1-2-3-13-6-7(4-11-13)9(14)8-5-10-12-15-8/h4-6H,2-3H2,1H3
InChIKeyZRNOXTUXYHAGII-UHFFFAOYSA-N
XLogP1.38
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-ethylpyrazol-4-yl)-(thiadiazol-5-yl)methanone
CID 105083248
(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanone
CID 114963905
(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methanone
CID 114963774
(3-chlorothiophen-2-yl)-(1-propylpyrazol-4-yl)methanone
CID 114963805
2-methyl-1-(1-propylpyrazol-4-yl)prop-2-en-1-one
CID 103446366
4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid
CID 103572838
1-(1-propylpyrazol-4-yl)hexan-1-one
CID 114963851
2-amino-3,3,3-trifluoro-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one
CID 116592872
naphthalen-1-yl-(1-propylpyrazol-4-yl)methanone
CID 62717590
naphthalen-2-yl-(1-propylpyrazol-4-yl)methanone
CID 62715712
1-benzothiophen-3-yl-(1-propylpyrazol-4-yl)methanone
CID 114963887
1-(1-propylpyrazol-4-yl)dodecan-1-one
CID 114963871

Frequently Asked Questions

What is the IUPAC name of (1-propylpyrazol-4-yl)-(thiadiazol-5-yl)methanone?
The IUPAC name of (1-propylpyrazol-4-yl)-(thiadiazol-5-yl)methanone (CID 105082119) is (1-propylpyrazol-4-yl)-(thiadiazol-5-yl)methanone.
What is the SMILES notation for (1-propylpyrazol-4-yl)-(thiadiazol-5-yl)methanone?
The canonical SMILES for (1-propylpyrazol-4-yl)-(thiadiazol-5-yl)methanone is CCCn1cc(C(=O)c2cnns2)cn1.
What is the InChIKey of (1-propylpyrazol-4-yl)-(thiadiazol-5-yl)methanone?
The InChIKey is ZRNOXTUXYHAGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-2-3-13-6-7(4-11-13)9(14)8-5-10-12-15-8/h4-6H,2-3H2,1H3.
What are the key properties of (1-propylpyrazol-4-yl)-(thiadiazol-5-yl)methanone?
(1-propylpyrazol-4-yl)-(thiadiazol-5-yl)methanone has a molecular weight of 222.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylpyrazol-4-yl)-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 105082119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).