4-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4,5-diamine

C11H23N5 — CID 114988266

IUPAC4-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4,5-diamine
SMILESCC(C)N(CCNc1cn[nH]c1N)C(C)C
InChIInChI=1S/C11H23N5/c1-8(2)16(9(3)4)6-5-13-10-7-14-15-11(10)12/h7-9,13H,5-6H2,1-4H3,(H3,12,14,15)
InChIKeyRZZWRGAMSCNLOJ-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.52
Rot. Bonds6

About 4-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4,5-diamine

4-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4,5-diamine (PubChem CID 114988266) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4,5-diamine
PubChem CID114988266
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC Name4-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4,5-diamine
SMILESCC(C)N(CCNc1cn[nH]c1N)C(C)C
InChIInChI=1S/C11H23N5/c1-8(2)16(9(3)4)6-5-13-10-7-14-15-11(10)12/h7-9,13H,5-6H2,1-4H3,(H3,12,14,15)
InChIKeyRZZWRGAMSCNLOJ-UHFFFAOYSA-N
XLogP1.52
TPSA69.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4,5-diamine (CID 114988266) is 4-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4,5-diamine is CC(C)N(CCNc1cn[nH]c1N)C(C)C.
What is the InChIKey of 4-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4,5-diamine?
The InChIKey is RZZWRGAMSCNLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-8(2)16(9(3)4)6-5-13-10-7-14-15-11(10)12/h7-9,13H,5-6H2,1-4H3,(H3,12,14,15).
What are the key properties of 4-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4,5-diamine?
4-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4,5-diamine has a molecular weight of 225.34 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 114988266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).