(2-propylpyrazol-3-yl)-(thiadiazol-4-yl)methanone

C9H10N4OS — CID 105100116

IUPAC(2-propylpyrazol-3-yl)-(thiadiazol-4-yl)methanone
SMILESCCCn1nccc1C(=O)c1csnn1
InChIInChI=1S/C9H10N4OS/c1-2-5-13-8(3-4-10-13)9(14)7-6-15-12-11-7/h3-4,6H,2,5H2,1H3
InChIKeyUPOQZHGMISQEPS-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.38
Rot. Bonds4

About (2-propylpyrazol-3-yl)-(thiadiazol-4-yl)methanone

(2-propylpyrazol-3-yl)-(thiadiazol-4-yl)methanone (PubChem CID 105100116) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is (2-propylpyrazol-3-yl)-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name(2-propylpyrazol-3-yl)-(thiadiazol-4-yl)methanone
PubChem CID105100116
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name(2-propylpyrazol-3-yl)-(thiadiazol-4-yl)methanone
SMILESCCCn1nccc1C(=O)c1csnn1
InChIInChI=1S/C9H10N4OS/c1-2-5-13-8(3-4-10-13)9(14)7-6-15-12-11-7/h3-4,6H,2,5H2,1H3
InChIKeyUPOQZHGMISQEPS-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

(2-propylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 63976118
2-propylpyrazole-3-carboxylic acid
CID 7017775
(E)-1-(2-propylpyrazol-3-yl)but-2-en-1-one
CID 103453337
[4-(aminomethyl)phenyl]-(2-propylpyrazol-3-yl)methanone
CID 116548209
2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709
2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one
CID 103451384
azepan-1-yl-(2-propylpyrazol-3-yl)methanone
CID 35522312
naphthalen-1-yl-(2-propylpyrazol-3-yl)methanone
CID 63976768
2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one
CID 103447030
2,2-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 114972349
N-(2-methylpropyl)-2-propylpyrazole-3-carboxamide
CID 35522331
naphthalen-2-yl-(2-propylpyrazol-3-yl)methanone
CID 63976981

Frequently Asked Questions

What is the IUPAC name of (2-propylpyrazol-3-yl)-(thiadiazol-4-yl)methanone?
The IUPAC name of (2-propylpyrazol-3-yl)-(thiadiazol-4-yl)methanone (CID 105100116) is (2-propylpyrazol-3-yl)-(thiadiazol-4-yl)methanone.
What is the SMILES notation for (2-propylpyrazol-3-yl)-(thiadiazol-4-yl)methanone?
The canonical SMILES for (2-propylpyrazol-3-yl)-(thiadiazol-4-yl)methanone is CCCn1nccc1C(=O)c1csnn1.
What is the InChIKey of (2-propylpyrazol-3-yl)-(thiadiazol-4-yl)methanone?
The InChIKey is UPOQZHGMISQEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-2-5-13-8(3-4-10-13)9(14)7-6-15-12-11-7/h3-4,6H,2,5H2,1H3.
What are the key properties of (2-propylpyrazol-3-yl)-(thiadiazol-4-yl)methanone?
(2-propylpyrazol-3-yl)-(thiadiazol-4-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 (2-propylpyrazol-3-yl)-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 105100116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).