3-methyl-1-(thiadiazol-4-ylmethyl)pyrazol-4-amine

C7H9N5S — CID 165472870

IUPAC3-methyl-1-(thiadiazol-4-ylmethyl)pyrazol-4-amine
SMILESCc1nn(Cc2csnn2)cc1N
InChIInChI=1S/C7H9N5S/c1-5-7(8)3-12(10-5)2-6-4-13-11-9-6/h3-4H,2,8H2,1H3
InChIKeyONWIISAIFAFLAM-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.67
Rot. Bonds2

About 3-methyl-1-(thiadiazol-4-ylmethyl)pyrazol-4-amine

3-methyl-1-(thiadiazol-4-ylmethyl)pyrazol-4-amine (PubChem CID 165472870) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is 3-methyl-1-(thiadiazol-4-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-1-(thiadiazol-4-ylmethyl)pyrazol-4-amine
PubChem CID165472870
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC Name3-methyl-1-(thiadiazol-4-ylmethyl)pyrazol-4-amine
SMILESCc1nn(Cc2csnn2)cc1N
InChIInChI=1S/C7H9N5S/c1-5-7(8)3-12(10-5)2-6-4-13-11-9-6/h3-4H,2,8H2,1H3
InChIKeyONWIISAIFAFLAM-UHFFFAOYSA-N
XLogP0.67
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-ethyltriazol-4-yl)methyl]-3-methylpyrazol-4-amine
CID 165472533
1-[(5-chloro-2-pyridinyl)methyl]-3-methylpyrazol-4-amine
CID 165471981
2-(thiadiazol-4-ylmethyl)triazol-4-amine
CID 165472887
[1-(thiadiazol-4-ylmethyl)triazol-4-yl]methanol
CID 130549819
1-(2-fluoroethyl)-3-methylpyrazol-4-amine
CID 86207976
3-amino-1-(thiadiazol-4-ylmethyl)pyridin-2-one
CID 130549573
4-(pyrrol-1-ylmethyl)thiadiazole
CID 130549918
4-[[4-(bromomethyl)imidazol-1-yl]methyl]thiadiazole
CID 130855443
1-(2,2-dimethylbutyl)-3-methylpyrazol-4-amine
CID 165479986
1-(2,4-dimethylpentyl)-3-methylpyrazol-4-amine
CID 165480695
3-amino-4-(thiadiazol-4-ylmethyl)-1H-1,2,4-triazole-5-thione
CID 131223478
1-[(2,2-dimethylcyclopropyl)methyl]-3-methylpyrazol-4-amine
CID 165472336

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(thiadiazol-4-ylmethyl)pyrazol-4-amine?
The IUPAC name of 3-methyl-1-(thiadiazol-4-ylmethyl)pyrazol-4-amine (CID 165472870) is 3-methyl-1-(thiadiazol-4-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 3-methyl-1-(thiadiazol-4-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 3-methyl-1-(thiadiazol-4-ylmethyl)pyrazol-4-amine is Cc1nn(Cc2csnn2)cc1N.
What is the InChIKey of 3-methyl-1-(thiadiazol-4-ylmethyl)pyrazol-4-amine?
The InChIKey is ONWIISAIFAFLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S/c1-5-7(8)3-12(10-5)2-6-4-13-11-9-6/h3-4H,2,8H2,1H3.
What are the key properties of 3-methyl-1-(thiadiazol-4-ylmethyl)pyrazol-4-amine?
3-methyl-1-(thiadiazol-4-ylmethyl)pyrazol-4-amine has a molecular weight of 195.25 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(thiadiazol-4-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 165472870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).