N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chloro-2-pyridinyl]methyl]-2-methylpropan-1-amine

C15H20BrClN4 — CID 62295326

IUPACN-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chloro-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1nn(-c2ccc(Cl)c(CNCC(C)C)n2)c(C)c1Br
InChIInChI=1S/C15H20BrClN4/c1-9(2)7-18-8-13-12(17)5-6-14(19-13)21-11(4)15(16)10(3)20-21/h5-6,9,18H,7-8H2,1-4H3
InChIKeyPYIVYCIDHTXHQD-UHFFFAOYSA-N
MW371.71 g/mol
LogP4.05
Rot. Bonds5

About N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chloro-2-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chloro-2-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 62295326) has the molecular formula C15H20BrClN4 and a molecular weight of 371.71 g/mol. Its IUPAC name is N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chloro-2-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chloro-2-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID62295326
Molecular FormulaC15H20BrClN4
Molecular Weight371.71 g/mol
Exact Mass370.06
IUPAC NameN-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chloro-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1nn(-c2ccc(Cl)c(CNCC(C)C)n2)c(C)c1Br
InChIInChI=1S/C15H20BrClN4/c1-9(2)7-18-8-13-12(17)5-6-14(19-13)21-11(4)15(16)10(3)20-21/h5-6,9,18H,7-8H2,1-4H3
InChIKeyPYIVYCIDHTXHQD-UHFFFAOYSA-N
XLogP4.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.71
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chloro-2-pyridinyl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[(3-chloro-6-pyrrolidin-1-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 55054651
N-[(3-chloro-6-morpholin-4-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62285577
N-[[3-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62285541
N-[[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114412626
N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62293049
3-chloro-2-(chloromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine
CID 61256214
[3-chloro-6-(3,4,5-trimethylpyrazol-1-yl)-2-pyridinyl]methanamine
CID 62288804
5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62280243
N-[[3-chloro-6-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296834
5-chloro-N-(2,2-dimethylpropyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62288482
5-chloro-6-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine
CID 63489453
6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-propan-2-yloxypyridin-3-amine
CID 62130571

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chloro-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chloro-2-pyridinyl]methyl]-2-methylpropan-1-amine (CID 62295326) is N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chloro-2-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chloro-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chloro-2-pyridinyl]methyl]-2-methylpropan-1-amine is Cc1nn(-c2ccc(Cl)c(CNCC(C)C)n2)c(C)c1Br.
What is the InChIKey of N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chloro-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is PYIVYCIDHTXHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN4/c1-9(2)7-18-8-13-12(17)5-6-14(19-13)21-11(4)15(16)10(3)20-21/h5-6,9,18H,7-8H2,1-4H3.
What are the key properties of N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chloro-2-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chloro-2-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 371.71 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chloro-2-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62295326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).