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

C15H21BrN4 — CID 62293574

IUPACN-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1nn(-c2ccnc(CNC(C)(C)C)c2)c(C)c1Br
InChIInChI=1S/C15H21BrN4/c1-10-14(16)11(2)20(19-10)13-6-7-17-12(8-13)9-18-15(3,4)5/h6-8,18H,9H2,1-5H3
InChIKeyXGTLVSXTTUIGMF-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.53
Rot. Bonds3

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

N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 62293574) has the molecular formula C15H21BrN4 and a molecular weight of 337.27 g/mol. Its IUPAC name is N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID62293574
Molecular FormulaC15H21BrN4
Molecular Weight337.27 g/mol
Exact Mass336.09
IUPAC NameN-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1nn(-c2ccnc(CNC(C)(C)C)c2)c(C)c1Br
InChIInChI=1S/C15H21BrN4/c1-10-14(16)11(2)20(19-10)13-6-7-17-12(8-13)9-18-15(3,4)5/h6-8,18H,9H2,1-5H3
InChIKeyXGTLVSXTTUIGMF-UHFFFAOYSA-N
XLogP3.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyridine, 4-(4-aminopyrazol-1-yl)-
CID 206684
(1-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl)methanamine
CID 52943064
1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-amine
CID 54581685
Pyridine, 3-(4-aminopyrazol-1-yl)-
CID 206682
Pyridine, 3-(4-(isopropylamino)pyrazol-1-yl)-
CID 206683
1-(pyridin-2-ylmethyl)-1H-pyrazol-4-amine
CID 28373959
2-(4-Bromo-1H-pyrazol-3-yl)pyridine
CID 18704283
N-(1-Methylethyl)-1-(4-pyridinyl)-1H-pyrazol-4-amine
CID 206685
3-(4-bromo-1H-pyrazol-1-yl)pyridine
CID 12661209
5-Bromo-2-(1H-pyrazol-3-yl)pyridine
CID 22032498
1-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-amine
CID 46204451
4-(4-bromo-1H-pyrazol-1-yl)pyridine
CID 54595489

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 62293574) is N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine is Cc1nn(-c2ccnc(CNC(C)(C)C)c2)c(C)c1Br.
What is the InChIKey of N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is XGTLVSXTTUIGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4/c1-10-14(16)11(2)20(19-10)13-6-7-17-12(8-13)9-18-15(3,4)5/h6-8,18H,9H2,1-5H3.
What are the key properties of N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 337.27 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62293574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).