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

C15H31N5 — CID 66027569

IUPAC5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NC(CC(C)C)CN(C)C)c1N
InChIInChI=1S/C15H31N5/c1-10(2)8-13(9-19(6)7)17-15-14(16)12(5)18-20(15)11(3)4/h10-11,13,17H,8-9,16H2,1-7H3
InChIKeySTKQZVBMICUAIF-UHFFFAOYSA-N
MW281.45 g/mol
LogP2.74
Rot. Bonds7

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

5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66027569) has the molecular formula C15H31N5 and a molecular weight of 281.45 g/mol. Its IUPAC name is 5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID66027569
Molecular FormulaC15H31N5
Molecular Weight281.45 g/mol
Exact Mass281.26
IUPAC Name5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NC(CC(C)C)CN(C)C)c1N
InChIInChI=1S/C15H31N5/c1-10(2)8-13(9-19(6)7)17-15-14(16)12(5)18-20(15)11(3)4/h10-11,13,17H,8-9,16H2,1-7H3
InChIKeySTKQZVBMICUAIF-UHFFFAOYSA-N
XLogP2.74
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]ethanol
CID 70039786
2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-1-ol
CID 66029865
(2S)-2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-3-methylbutan-1-ol
CID 79248672
1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-2-ol
CID 66029672
5-N-hexan-2-yl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66028933
5-N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029264
3-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazole-3,4-diamine
CID 103078240
5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66028498
2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-methylpropanamide
CID 66029301
5-N-(cyclopentylmethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027739
5-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011469
3-methyl-5-N-(2-methylprop-2-enyl)-1-propan-2-ylpyrazole-4,5-diamine
CID 114615272

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (CID 66027569) is 5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is Cc1nn(C(C)C)c(NC(CC(C)C)CN(C)C)c1N.
What is the InChIKey of 5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is STKQZVBMICUAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5/c1-10(2)8-13(9-19(6)7)17-15-14(16)12(5)18-20(15)11(3)4/h10-11,13,17H,8-9,16H2,1-7H3.
What are the key properties of 5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 281.45 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66027569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).