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

C15H29N5 — CID 115990041

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
SMILESCCc1nn(C)cc1C(CN)N(C)CC1CCCN1C
InChIInChI=1S/C15H29N5/c1-5-14-13(11-20(4)17-14)15(9-16)19(3)10-12-7-6-8-18(12)2/h11-12,15H,5-10,16H2,1-4H3
InChIKeyWBAANHQPQCEIPK-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.01
Rot. Bonds6

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

1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine (PubChem CID 115990041) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
PubChem CID115990041
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
SMILESCCc1nn(C)cc1C(CN)N(C)CC1CCCN1C
InChIInChI=1S/C15H29N5/c1-5-14-13(11-20(4)17-14)15(9-16)19(3)10-12-7-6-8-18(12)2/h11-12,15H,5-10,16H2,1-4H3
InChIKeyWBAANHQPQCEIPK-UHFFFAOYSA-N
XLogP1.01
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 83088852
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 115989817
N-cycloheptyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 115989859
1-(3-ethyl-1-methylpyrazol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 112669221
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 112669262
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
N-(2,2-dimethylpropyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 112669374
1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303102
N-(cyclopropylmethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-propan-2-ylethane-1,2-diamine
CID 112669360
1-(3,5-dimethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303428
N-(2-ethoxyethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 112669585

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine (CID 115990041) is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine is CCc1nn(C)cc1C(CN)N(C)CC1CCCN1C.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is WBAANHQPQCEIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-5-14-13(11-20(4)17-14)15(9-16)19(3)10-12-7-6-8-18(12)2/h11-12,15H,5-10,16H2,1-4H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine?
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 279.43 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 115990041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).