N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine

C16H27BrN4 — CID 79703289

IUPACN-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESCCc1nn(C)c(CN(CC2CCNCC2)C2CC2)c1Br
InChIInChI=1S/C16H27BrN4/c1-3-14-16(17)15(20(2)19-14)11-21(13-4-5-13)10-12-6-8-18-9-7-12/h12-13,18H,3-11H2,1-2H3
InChIKeyWTGMELBLYIMQKD-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.71
Rot. Bonds6

About N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine

N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine (PubChem CID 79703289) has the molecular formula C16H27BrN4 and a molecular weight of 355.32 g/mol. Its IUPAC name is N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
PubChem CID79703289
Molecular FormulaC16H27BrN4
Molecular Weight355.32 g/mol
Exact Mass354.14
IUPAC NameN-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESCCc1nn(C)c(CN(CC2CCNCC2)C2CC2)c1Br
InChIInChI=1S/C16H27BrN4/c1-3-14-16(17)15(20(2)19-14)11-21(13-4-5-13)10-12-6-8-18-9-7-12/h12-13,18H,3-11H2,1-2H3
InChIKeyWTGMELBLYIMQKD-UHFFFAOYSA-N
XLogP2.71
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79704520
4-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]azepane
CID 83262137
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106639460
methyl 2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]acetate
CID 115536721
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106616114
N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715367
4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole
CID 81223578
N-[(5-ethylfuran-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715370
N-ethyl-N-(pyrrolidin-3-ylmethyl)cyclopropanamine
CID 62372474
N-ethyl-1-methyl-N-(piperidin-4-ylmethyl)azepan-4-amine
CID 79715823
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715016
N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine
CID 79715542

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine (CID 79703289) is N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine is CCc1nn(C)c(CN(CC2CCNCC2)C2CC2)c1Br.
What is the InChIKey of N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The InChIKey is WTGMELBLYIMQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN4/c1-3-14-16(17)15(20(2)19-14)11-21(13-4-5-13)10-12-6-8-18-9-7-12/h12-13,18H,3-11H2,1-2H3.
What are the key properties of N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine has a molecular weight of 355.32 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine is sourced from PubChem (CID 79703289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).