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

C16H27BrN4 — CID 79704520

IUPACN-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESCCn1nc(C)c(Br)c1CN(CC1CCNCC1)C1CC1
InChIInChI=1S/C16H27BrN4/c1-3-21-15(16(17)12(2)19-21)11-20(14-4-5-14)10-13-6-8-18-9-7-13/h13-14,18H,3-11H2,1-2H3
InChIKeyYMEIYMZUDSGBRB-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.94
Rot. Bonds6

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

N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine (PubChem CID 79704520) has the molecular formula C16H27BrN4 and a molecular weight of 355.32 g/mol. Its IUPAC name is N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
PubChem CID79704520
Molecular FormulaC16H27BrN4
Molecular Weight355.32 g/mol
Exact Mass354.14
IUPAC NameN-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESCCn1nc(C)c(Br)c1CN(CC1CCNCC1)C1CC1
InChIInChI=1S/C16H27BrN4/c1-3-21-15(16(17)12(2)19-21)11-20(14-4-5-14)10-13-6-8-18-9-7-13/h13-14,18H,3-11H2,1-2H3
InChIKeyYMEIYMZUDSGBRB-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79703289
N-(2-bromoethyl)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentanamine
CID 80673564
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-piperidin-4-ylethanol
CID 80560441
N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715367
N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616672
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79714350
[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 66025196
N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine
CID 79715542
1-bromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine
CID 104555001
3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidin-4-one
CID 114451689
N-[(5-ethylfuran-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715370
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211634

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine (CID 79704520) is N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine is CCn1nc(C)c(Br)c1CN(CC1CCNCC1)C1CC1.
What is the InChIKey of N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The InChIKey is YMEIYMZUDSGBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN4/c1-3-21-15(16(17)12(2)19-21)11-20(14-4-5-14)10-13-6-8-18-9-7-13/h13-14,18H,3-11H2,1-2H3.
What are the key properties of N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine has a molecular weight of 355.32 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine is sourced from PubChem (CID 79704520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).