3-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpyrazole-4,5-diamine

C12H19N5S — CID 66024374

IUPAC3-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1ncsc1CNc1c(N)c(C)nn1C(C)C
InChIInChI=1S/C12H19N5S/c1-7(2)17-12(11(13)9(4)16-17)14-5-10-8(3)15-6-18-10/h6-7,14H,5,13H2,1-4H3
InChIKeyYTZTWPHNBKSHGW-UHFFFAOYSA-N
MW265.39 g/mol
LogP2.73
Rot. Bonds4

About 3-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpyrazole-4,5-diamine

3-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66024374) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is 3-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name3-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID66024374
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC Name3-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1ncsc1CNc1c(N)c(C)nn1C(C)C
InChIInChI=1S/C12H19N5S/c1-7(2)17-12(11(13)9(4)16-17)14-5-10-8(3)15-6-18-10/h6-7,14H,5,13H2,1-4H3
InChIKeyYTZTWPHNBKSHGW-UHFFFAOYSA-N
XLogP2.73
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-4,5-diamine
CID 63280833
5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027142
5-N-(1H-imidazol-5-ylmethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66024600
1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-2-ol
CID 66029672
5-N-[(3-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029512
3-methyl-5-N-(2-methylprop-2-enyl)-1-propan-2-ylpyrazole-4,5-diamine
CID 114615272
5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66028498
5-N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029264
3-methyl-1-propan-2-yl-5-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4,5-diamine
CID 66024821
2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 63280474
1,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-nitropyrazol-5-amine
CID 63280496
4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-1-methoxybutan-2-ol
CID 106243516

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 3-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpyrazole-4,5-diamine (CID 66024374) is 3-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 3-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 3-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpyrazole-4,5-diamine is Cc1ncsc1CNc1c(N)c(C)nn1C(C)C.
What is the InChIKey of 3-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is YTZTWPHNBKSHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-7(2)17-12(11(13)9(4)16-17)14-5-10-8(3)15-6-18-10/h6-7,14H,5,13H2,1-4H3.
What are the key properties of 3-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpyrazole-4,5-diamine?
3-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 265.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66024374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).