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

C16H23ClN4 — CID 106907332

IUPACN-[[6-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1nn(Cc2cccc(CNCC(C)C)n2)c(C)c1Cl
InChIInChI=1S/C16H23ClN4/c1-11(2)8-18-9-14-6-5-7-15(19-14)10-21-13(4)16(17)12(3)20-21/h5-7,11,18H,8-10H2,1-4H3
InChIKeyHCFMHKVMVGKVRT-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.34
Rot. Bonds6

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

N-[[6-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 106907332) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is N-[[6-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID106907332
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC NameN-[[6-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1nn(Cc2cccc(CNCC(C)C)n2)c(C)c1Cl
InChIInChI=1S/C16H23ClN4/c1-11(2)8-18-9-14-6-5-7-15(19-14)10-21-13(4)16(17)12(3)20-21/h5-7,11,18H,8-10H2,1-4H3
InChIKeyHCFMHKVMVGKVRT-UHFFFAOYSA-N
XLogP3.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[6-[(4,5-dimethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106907444
N-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107557706
N-[[3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62449379
N-[[6-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106907426
2-methyl-N-[[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905480
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62447507
N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine
CID 55059648
N-[[6-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106906698
N-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
CID 78810000
2-methyl-N-[[6-(1,4-thiazepan-4-ylmethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106905365
N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62294975
N-[[6-[(3,3-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106906337

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[6-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine (CID 106907332) is N-[[6-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[6-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[6-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine is Cc1nn(Cc2cccc(CNCC(C)C)n2)c(C)c1Cl.
What is the InChIKey of N-[[6-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is HCFMHKVMVGKVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4/c1-11(2)8-18-9-14-6-5-7-15(19-14)10-21-13(4)16(17)12(3)20-21/h5-7,11,18H,8-10H2,1-4H3.
What are the key properties of N-[[6-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[6-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 306.84 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 106907332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).