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

C14H27N5 — CID 83088852

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
SMILESCc1nn(C)cc1C(CN)N(C)CC1CCCN1C
InChIInChI=1S/C14H27N5/c1-11-13(10-19(4)16-11)14(8-15)18(3)9-12-6-5-7-17(12)2/h10,12,14H,5-9,15H2,1-4H3
InChIKeyVBIRXKJRFSMBGL-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.75
Rot. Bonds5

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

1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine (PubChem CID 83088852) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
PubChem CID83088852
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
SMILESCc1nn(C)cc1C(CN)N(C)CC1CCCN1C
InChIInChI=1S/C14H27N5/c1-11-13(10-19(4)16-11)14(8-15)18(3)9-12-6-5-7-17(12)2/h10,12,14H,5-9,15H2,1-4H3
InChIKeyVBIRXKJRFSMBGL-UHFFFAOYSA-N
XLogP0.75
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 115990041
1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303102
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 83089494
1-(3,5-dimethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303428
1-(4-ethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303979
1-(5-ethylfuran-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303093
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 83089582
1-(3-ethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303043
N-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-propylethane-1,2-diamine
CID 83088578
N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79304519
1-(3-bromo-4-methoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303265
N-butan-2-yl-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethane-1,2-diamine
CID 83089088

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine (CID 83088852) is 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine is Cc1nn(C)cc1C(CN)N(C)CC1CCCN1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is VBIRXKJRFSMBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-11-13(10-19(4)16-11)14(8-15)18(3)9-12-6-5-7-17(12)2/h10,12,14H,5-9,15H2,1-4H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine?
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 265.40 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 83088852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).