N-[(5-bromo-3-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine

C13H17BrN4 — CID 43497258

IUPACN-[(5-bromo-3-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(Br)c1)c1cnn(C)c1
InChIInChI=1S/C13H17BrN4/c1-3-4-16-13(11-7-17-18(2)9-11)10-5-12(14)8-15-6-10/h5-9,13,16H,3-4H2,1-2H3
InChIKeyCHMFSURHZUTCIT-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.67
Rot. Bonds5

About N-[(5-bromo-3-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine

N-[(5-bromo-3-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 43497258) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID43497258
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC NameN-[(5-bromo-3-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(Br)c1)c1cnn(C)c1
InChIInChI=1S/C13H17BrN4/c1-3-4-16-13(11-7-17-18(2)9-11)10-5-12(14)8-15-6-10/h5-9,13,16H,3-4H2,1-2H3
InChIKeyCHMFSURHZUTCIT-UHFFFAOYSA-N
XLogP2.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 115374632
N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497333
N-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497323
N-[(6-bromonaphthalen-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808523
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
N-[(3,5-dibromo-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 113398631
N-[(5-bromo-3-pyridinyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102833386
N-[[4-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497242
3-[(1-methylpyrazol-4-yl)-(propylamino)methyl]pyridin-4-amine
CID 65200715
N-[(5-bromo-3-pyridinyl)-(2,6-difluoro-3-methylphenyl)methyl]propan-1-amine
CID 82802947
N-[(1-methylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 43497220
2-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-1-amine
CID 114246305

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine (CID 43497258) is N-[(5-bromo-3-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine is CCCNC(c1cncc(Br)c1)c1cnn(C)c1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is CHMFSURHZUTCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-3-4-16-13(11-7-17-18(2)9-11)10-5-12(14)8-15-6-10/h5-9,13,16H,3-4H2,1-2H3.
What are the key properties of N-[(5-bromo-3-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
N-[(5-bromo-3-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 309.21 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 43497258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).