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

C14H26N4O — CID 79578592

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
SMILESCc1c(C(CN)N(C)CC2CCCCO2)cnn1C
InChIInChI=1S/C14H26N4O/c1-11-13(9-16-18(11)3)14(8-15)17(2)10-12-6-4-5-7-19-12/h9,12,14H,4-8,10,15H2,1-3H3
InChIKeyQCZFDQGEDAOBAW-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.23
Rot. Bonds5

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

1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 79578592) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
PubChem CID79578592
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
SMILESCc1c(C(CN)N(C)CC2CCCCO2)cnn1C
InChIInChI=1S/C14H26N4O/c1-11-13(9-16-18(11)3)14(8-15)17(2)10-12-6-4-5-7-19-12/h9,12,14H,4-8,10,15H2,1-3H3
InChIKeyQCZFDQGEDAOBAW-UHFFFAOYSA-N
XLogP1.23
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(3-methylimidazol-4-yl)-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 66117724
N-methyl-1-(6-methyl-3-pyridinyl)-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 104822193
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82734604
1-(1,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 79584440
1-(2-cyclopropylphenyl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 79971747
1-(1-benzothiophen-3-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 62698125
1-isoquinolin-4-yl-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104504094
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 79578846
1-(5-bromothiophen-2-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 54983746
1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431124
1-(4-ethoxyphenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431322
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 79579452

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine (CID 79578592) is 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine is Cc1c(C(CN)N(C)CC2CCCCO2)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is QCZFDQGEDAOBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11-13(9-16-18(11)3)14(8-15)17(2)10-12-6-4-5-7-19-12/h9,12,14H,4-8,10,15H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine?
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 266.39 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 79578592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).