N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butyl]cyclopropanamine

C14H25BrN4 — CID 114666758

IUPACN-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butyl]cyclopropanamine
SMILESCC(CCNC1CC1)c1c(Br)cnn1CCN(C)C
InChIInChI=1S/C14H25BrN4/c1-11(6-7-16-12-4-5-12)14-13(15)10-17-19(14)9-8-18(2)3/h10-12,16H,4-9H2,1-3H3
InChIKeyMNONJBLOMFIPAS-UHFFFAOYSA-N
MW329.29 g/mol
LogP2.45
Rot. Bonds8

About N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butyl]cyclopropanamine

N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butyl]cyclopropanamine (PubChem CID 114666758) has the molecular formula C14H25BrN4 and a molecular weight of 329.29 g/mol. Its IUPAC name is N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butyl]cyclopropanamine
PubChem CID114666758
Molecular FormulaC14H25BrN4
Molecular Weight329.29 g/mol
Exact Mass328.13
IUPAC NameN-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butyl]cyclopropanamine
SMILESCC(CCNC1CC1)c1c(Br)cnn1CCN(C)C
InChIInChI=1S/C14H25BrN4/c1-11(6-7-16-12-4-5-12)14-13(15)10-17-19(14)9-8-18(2)3/h10-12,16H,4-9H2,1-3H3
InChIKeyMNONJBLOMFIPAS-UHFFFAOYSA-N
XLogP2.45
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-bromo-1-ethylpyrazol-5-yl)butyl]cyclopropanamine
CID 114666764
N-[3-(4-bromo-1-methylpyrazol-5-yl)butyl]cyclopropanamine
CID 114666766
N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylbutyl]cyclopropanamine
CID 114666856
3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-amine
CID 114666504
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N,2-dimethylpropan-1-amine
CID 114647581
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-dimethoxy-N-methylethanamine
CID 114657541
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol
CID 114635495
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylbutan-1-amine
CID 114666706
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-(diethylamino)propan-1-ol
CID 114644599
2-[5-[amino-(2-methylcyclopentyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 107190968
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-methylpropylamino)ethanol
CID 114665884
2-[4-bromo-5-[fluoro(piperidin-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114667798

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butyl]cyclopropanamine?
The IUPAC name of N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butyl]cyclopropanamine (CID 114666758) is N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butyl]cyclopropanamine.
What is the SMILES notation for N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butyl]cyclopropanamine?
The canonical SMILES for N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butyl]cyclopropanamine is CC(CCNC1CC1)c1c(Br)cnn1CCN(C)C.
What is the InChIKey of N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butyl]cyclopropanamine?
The InChIKey is MNONJBLOMFIPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN4/c1-11(6-7-16-12-4-5-12)14-13(15)10-17-19(14)9-8-18(2)3/h10-12,16H,4-9H2,1-3H3.
What are the key properties of N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butyl]cyclopropanamine?
N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butyl]cyclopropanamine has a molecular weight of 329.29 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butyl]cyclopropanamine is sourced from PubChem (CID 114666758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).