1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine

C14H22N4O — CID 79579452

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
SMILESCc1occc1CN(C)C(CN)c1cnn(C)c1C
InChIInChI=1S/C14H22N4O/c1-10-13(8-16-18(10)4)14(7-15)17(3)9-12-5-6-19-11(12)2/h5-6,8,14H,7,9,15H2,1-4H3
InChIKeyFURDWPWHTFUKFU-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.76
Rot. Bonds5

About 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine

1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine (PubChem CID 79579452) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
PubChem CID79579452
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
SMILESCc1occc1CN(C)C(CN)c1cnn(C)c1C
InChIInChI=1S/C14H22N4O/c1-10-13(8-16-18(10)4)14(7-15)17(3)9-12-5-6-19-11(12)2/h5-6,8,14H,7,9,15H2,1-4H3
InChIKeyFURDWPWHTFUKFU-UHFFFAOYSA-N
XLogP1.76
TPSA60.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-3-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 63208203
1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 61426435
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 79578770
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 79578846
N-[(5-bromothiophen-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 79579106
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 79579449
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 79578592
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
CID 79578411
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 102838655
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82734604
4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]butanamide
CID 66426470
2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine
CID 61426720

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine (CID 79579452) is 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine is Cc1occc1CN(C)C(CN)c1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is FURDWPWHTFUKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-13(8-16-18(10)4)14(7-15)17(3)9-12-5-6-19-11(12)2/h5-6,8,14H,7,9,15H2,1-4H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine?
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 262.36 g/mol, XLogP of 1.76, 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-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 79579452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).