N-[[2-[(5-bromo-2-pyridinyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine

C14H19BrN4 — CID 104811764

IUPACN-[[2-[(5-bromo-2-pyridinyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccnn1Cc1ccc(Br)cn1
InChIInChI=1S/C14H19BrN4/c1-14(2,3)17-9-13-6-7-18-19(13)10-12-5-4-11(15)8-16-12/h4-8,17H,9-10H2,1-3H3
InChIKeyRLWOWVOCLHYVCO-UHFFFAOYSA-N
MW323.24 g/mol
LogP2.98
Rot. Bonds4

About N-[[2-[(5-bromo-2-pyridinyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine

N-[[2-[(5-bromo-2-pyridinyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 104811764) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is N-[[2-[(5-bromo-2-pyridinyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(5-bromo-2-pyridinyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID104811764
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC NameN-[[2-[(5-bromo-2-pyridinyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccnn1Cc1ccc(Br)cn1
InChIInChI=1S/C14H19BrN4/c1-14(2,3)17-9-13-6-7-18-19(13)10-12-5-4-11(15)8-16-12/h4-8,17H,9-10H2,1-3H3
InChIKeyRLWOWVOCLHYVCO-UHFFFAOYSA-N
XLogP2.98
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(5-bromo-2-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 104811695
N-[[2-(2-ethylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
CID 82923807
N-[[2-(3-methoxy-3-methylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
CID 103037479
2-methyl-N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 102999863
2-[(5-bromo-2-pyridinyl)methyl]-N-tert-butylbutan-1-amine
CID 104810480
N-[[3-[(5-bromo-2-pyridinyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 104810695
N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine
CID 104567615
1-[1-[(5-bromo-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 104811703
2-[(5-bromo-2-pyridinyl)methylamino]-2-methylbutan-1-ol
CID 64550786
5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine
CID 104809156
N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 104813864
N-[[1-[(5-bromo-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 113454806

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-bromo-2-pyridinyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(5-bromo-2-pyridinyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine (CID 104811764) is N-[[2-[(5-bromo-2-pyridinyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(5-bromo-2-pyridinyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(5-bromo-2-pyridinyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccnn1Cc1ccc(Br)cn1.
What is the InChIKey of N-[[2-[(5-bromo-2-pyridinyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is RLWOWVOCLHYVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c1-14(2,3)17-9-13-6-7-18-19(13)10-12-5-4-11(15)8-16-12/h4-8,17H,9-10H2,1-3H3.
What are the key properties of N-[[2-[(5-bromo-2-pyridinyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
N-[[2-[(5-bromo-2-pyridinyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 323.24 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-bromo-2-pyridinyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 104811764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).