1-(1,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

C12H22N4O — CID 79584440

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCc1c(C(CN)NCC2CCCO2)cnn1C
InChIInChI=1S/C12H22N4O/c1-9-11(8-15-16(9)2)12(6-13)14-7-10-4-3-5-17-10/h8,10,12,14H,3-7,13H2,1-2H3
InChIKeyZFVPVMRHSYAQLW-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.50
Rot. Bonds5

About 1-(1,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

1-(1,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 79584440) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID79584440
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCc1c(C(CN)NCC2CCCO2)cnn1C
InChIInChI=1S/C12H22N4O/c1-9-11(8-15-16(9)2)12(6-13)14-7-10-4-3-5-17-10/h8,10,12,14H,3-7,13H2,1-2H3
InChIKeyZFVPVMRHSYAQLW-UHFFFAOYSA-N
XLogP0.50
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopropylethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine
CID 79584820
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 79578592
1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 65376730
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
CID 79578829
1-[4-(difluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 115524394
3-(1,5-dimethylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 35763072
N-(3,3-dimethylcyclopentyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine
CID 114544966
1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 65378177
ethyl 2-(1-methylpyrazol-4-yl)-2-(oxolan-2-ylmethylamino)acetate
CID 54890518
[3-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)propyl]hydrazine
CID 105315128
[3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105314270
N-[2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105151550

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 79584440) is 1-(1,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is Cc1c(C(CN)NCC2CCCO2)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is ZFVPVMRHSYAQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9-11(8-15-16(9)2)12(6-13)14-7-10-4-3-5-17-10/h8,10,12,14H,3-7,13H2,1-2H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
1-(1,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 79584440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).