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

C9H16N4O — CID 82236284

IUPAC4-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-4,5-diamine
SMILESCC(Nc1cn[nH]c1N)C1CCCO1
InChIInChI=1S/C9H16N4O/c1-6(8-3-2-4-14-8)12-7-5-11-13-9(7)10/h5-6,8,12H,2-4H2,1H3,(H3,10,11,13)
InChIKeyADCJRPRPQRMZCW-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.97
Rot. Bonds3

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

4-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-4,5-diamine (PubChem CID 82236284) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-4,5-diamine
PubChem CID82236284
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-4,5-diamine
SMILESCC(Nc1cn[nH]c1N)C1CCCO1
InChIInChI=1S/C9H16N4O/c1-6(8-3-2-4-14-8)12-7-5-11-13-9(7)10/h5-6,8,12H,2-4H2,1H3,(H3,10,11,13)
InChIKeyADCJRPRPQRMZCW-UHFFFAOYSA-N
XLogP0.97
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3,4-diamine
CID 93103324
5-methoxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-4-amine
CID 106660284
4-chloro-2-methyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one
CID 115579991
3-amino-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64523047
(1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine
CID 93257811
N-[1-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 130840823
4-N-[1-(oxolan-2-yl)ethyl]quinoline-4,8-diamine
CID 83060583
4-chloro-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one
CID 114433352
4-bromo-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one
CID 114433366
2-N,5-dimethyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80780776
2-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80780884
N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601307

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-4,5-diamine (CID 82236284) is 4-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-4,5-diamine is CC(Nc1cn[nH]c1N)C1CCCO1.
What is the InChIKey of 4-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-4,5-diamine?
The InChIKey is ADCJRPRPQRMZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(8-3-2-4-14-8)12-7-5-11-13-9(7)10/h5-6,8,12H,2-4H2,1H3,(H3,10,11,13).
What are the key properties of 4-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-4,5-diamine?
4-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-4,5-diamine has a molecular weight of 196.25 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 82236284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).