N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine

C13H15BrN4 — CID 113455948

IUPACN-[[1-[(5-bromo-3-pyridinyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
SMILESBrc1cncc(Cn2cc(CNC3CC3)cn2)c1
InChIInChI=1S/C13H15BrN4/c14-12-3-10(4-15-7-12)8-18-9-11(6-17-18)5-16-13-1-2-13/h3-4,6-7,9,13,16H,1-2,5,8H2
InChIKeyDXUNUGQLXKPCTP-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.34
Rot. Bonds5

About N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine

N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 113455948) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(5-bromo-3-pyridinyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID113455948
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC NameN-[[1-[(5-bromo-3-pyridinyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
SMILESBrc1cncc(Cn2cc(CNC3CC3)cn2)c1
InChIInChI=1S/C13H15BrN4/c14-12-3-10(4-15-7-12)8-18-9-11(6-17-18)5-16-13-1-2-13/h3-4,6-7,9,13,16H,1-2,5,8H2
InChIKeyDXUNUGQLXKPCTP-UHFFFAOYSA-N
XLogP2.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 82930291
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 104798204
3-bromo-5-[(4-iodopyrazol-1-yl)methyl]pyridine
CID 115641056
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 65326635
N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 65460455
N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 82871062
N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
N-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine
CID 55110496
7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane
CID 130956415
N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 114477117
tert-butyl N-[4-[(5-bromo-3-pyridinyl)methylamino]cyclohexyl]carbamate
CID 104856976
3-bromo-5-[(2,6-dimethylpiperidin-1-yl)methyl]pyridine
CID 115618842

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine (CID 113455948) is N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine is Brc1cncc(Cn2cc(CNC3CC3)cn2)c1.
What is the InChIKey of N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is DXUNUGQLXKPCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c14-12-3-10(4-15-7-12)8-18-9-11(6-17-18)5-16-13-1-2-13/h3-4,6-7,9,13,16H,1-2,5,8H2.
What are the key properties of N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 307.19 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 113455948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).