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

C15H31N5 — CID 66029264

IUPAC5-N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NCCN(C(C)C)C(C)C)c1N
InChIInChI=1S/C15H31N5/c1-10(2)19(11(3)4)9-8-17-15-14(16)13(7)18-20(15)12(5)6/h10-12,17H,8-9,16H2,1-7H3
InChIKeyGSBNRFSWNFEWCZ-UHFFFAOYSA-N
MW281.45 g/mol
LogP2.89
Rot. Bonds7

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

5-N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66029264) has the molecular formula C15H31N5 and a molecular weight of 281.45 g/mol. Its IUPAC name is 5-N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID66029264
Molecular FormulaC15H31N5
Molecular Weight281.45 g/mol
Exact Mass281.26
IUPAC Name5-N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NCCN(C(C)C)C(C)C)c1N
InChIInChI=1S/C15H31N5/c1-10(2)19(11(3)4)9-8-17-15-14(16)13(7)18-20(15)12(5)6/h10-12,17H,8-9,16H2,1-7H3
InChIKeyGSBNRFSWNFEWCZ-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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]propan-2-ol
CID 66029672
5-N-[2-(azepan-1-yl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027942
3-methyl-5-N-(3-methylsulfinylpropyl)-1-propan-2-ylpyrazole-4,5-diamine
CID 113487227
4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-1-methoxybutan-2-ol
CID 106243516
3-methyl-5-N-(2-methylprop-2-enyl)-1-propan-2-ylpyrazole-4,5-diamine
CID 114615272
5-N-[2-(4-chlorophenyl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029491
5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66028498
3-methyl-5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1-propan-2-ylpyrazole-4,5-diamine
CID 66028741
3-methyl-5-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrazole-4,5-diamine
CID 66023712
ethyl 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]butanoate
CID 66025704
3-methyl-1-propan-2-yl-5-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4,5-diamine
CID 66024821
5-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 114536241

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (CID 66029264) is 5-N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is Cc1nn(C(C)C)c(NCCN(C(C)C)C(C)C)c1N.
What is the InChIKey of 5-N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is GSBNRFSWNFEWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5/c1-10(2)19(11(3)4)9-8-17-15-14(16)13(7)18-20(15)12(5)6/h10-12,17H,8-9,16H2,1-7H3.
What are the key properties of 5-N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
5-N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 281.45 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66029264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).