N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine

C15H24ClN5 — CID 50960275

IUPACN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine
SMILESCCn1cc(CN(Cc2c(C)nn(C)c2Cl)C(C)C)cn1
InChIInChI=1S/C15H24ClN5/c1-6-21-9-13(7-17-21)8-20(11(2)3)10-14-12(4)18-19(5)15(14)16/h7,9,11H,6,8,10H2,1-5H3
InChIKeyXJZBJCVTZNHKHK-UHFFFAOYSA-N
MW309.85 g/mol
LogP3.01
Rot. Bonds6

About N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 50960275) has the molecular formula C15H24ClN5 and a molecular weight of 309.85 g/mol. Its IUPAC name is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID50960275
Molecular FormulaC15H24ClN5
Molecular Weight309.85 g/mol
Exact Mass309.17
IUPAC NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine
SMILESCCn1cc(CN(Cc2c(C)nn(C)c2Cl)C(C)C)cn1
InChIInChI=1S/C15H24ClN5/c1-6-21-9-13(7-17-21)8-20(11(2)3)10-14-12(4)18-19(5)15(14)16/h7,9,11H,6,8,10H2,1-5H3
InChIKeyXJZBJCVTZNHKHK-UHFFFAOYSA-N
XLogP3.01
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.85
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
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(2S,3R,6S)-2-N-[(1-ethylpyrazol-4-yl)methyl]-6-N-methyl-5-(2-methylpropyl)-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2,6-dicarboxamide
CID 146068942
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine (CID 50960275) is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine is CCn1cc(CN(Cc2c(C)nn(C)c2Cl)C(C)C)cn1.
What is the InChIKey of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is XJZBJCVTZNHKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5/c1-6-21-9-13(7-17-21)8-20(11(2)3)10-14-12(4)18-19(5)15(14)16/h7,9,11H,6,8,10H2,1-5H3.
What are the key properties of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine?
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 309.85 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 50960275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).