3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine

C16H17ClN6S — CID 18285140

IUPAC3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine
SMILESCc1nn(-c2ccccc2)c(Cl)c1CSc1nnc(C2CC2)n1N
InChIInChI=1S/C16H17ClN6S/c1-10-13(14(17)23(21-10)12-5-3-2-4-6-12)9-24-16-20-19-15(22(16)18)11-7-8-11/h2-6,11H,7-9,18H2,1H3
InChIKeyUEVRMEDRADSQFO-UHFFFAOYSA-N
MW360.87 g/mol
LogP3.31
Rot. Bonds5

About 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine

3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine (PubChem CID 18285140) has the molecular formula C16H17ClN6S and a molecular weight of 360.87 g/mol. Its IUPAC name is 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine
PubChem CID18285140
Molecular FormulaC16H17ClN6S
Molecular Weight360.87 g/mol
Exact Mass360.09
IUPAC Name3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine
SMILESCc1nn(-c2ccccc2)c(Cl)c1CSc1nnc(C2CC2)n1N
InChIInChI=1S/C16H17ClN6S/c1-10-13(14(17)23(21-10)12-5-3-2-4-6-12)9-24-16-20-19-15(22(16)18)11-7-8-11/h2-6,11H,7-9,18H2,1H3
InChIKeyUEVRMEDRADSQFO-UHFFFAOYSA-N
XLogP3.31
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole
CID 34943650
3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazole
CID 46540414
5-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-1-(4-methoxyphenyl)tetrazole
CID 8682626
5-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole
CID 24519711
2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-1-oxidopyridin-1-ium
CID 18292228
3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine
CID 9269320
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 9141667
3-cyclohexyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 4842107
3-cyclopropyl-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 22110828
3-[(3-chlorophenyl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine
CID 7710477
3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol
CID 170887531
2-[1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]-1,3-benzoxazole
CID 55410754

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine (CID 18285140) is 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine is Cc1nn(-c2ccccc2)c(Cl)c1CSc1nnc(C2CC2)n1N.
What is the InChIKey of 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine?
The InChIKey is UEVRMEDRADSQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6S/c1-10-13(14(17)23(21-10)12-5-3-2-4-6-12)9-24-16-20-19-15(22(16)18)11-7-8-11/h2-6,11H,7-9,18H2,1H3.
What are the key properties of 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine?
3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine has a molecular weight of 360.87 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 18285140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).