4-(1-chloropropyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole

C12H17ClN4 — CID 62729663

IUPAC4-(1-chloropropyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole
SMILESCCC(Cl)c1cnn(Cc2cnn(CC)c2)c1
InChIInChI=1S/C12H17ClN4/c1-3-12(13)11-6-15-17(9-11)8-10-5-14-16(4-2)7-10/h5-7,9,12H,3-4,8H2,1-2H3
InChIKeyVLFBORSNGLRAEZ-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.84
Rot. Bonds5

About 4-(1-chloropropyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole

4-(1-chloropropyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole (PubChem CID 62729663) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is 4-(1-chloropropyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole.

Molecular Properties

Compound Name4-(1-chloropropyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole
PubChem CID62729663
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC Name4-(1-chloropropyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole
SMILESCCC(Cl)c1cnn(Cc2cnn(CC)c2)c1
InChIInChI=1S/C12H17ClN4/c1-3-12(13)11-6-15-17(9-11)8-10-5-14-16(4-2)7-10/h5-7,9,12H,3-4,8H2,1-2H3
InChIKeyVLFBORSNGLRAEZ-UHFFFAOYSA-N
XLogP2.84
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chlorophenyl)methyl]-4-(1-chloropropyl)pyrazole
CID 55109177
4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole
CID 62730205
1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-ol
CID 116799436
4-(1-chloropropyl)-1-dodecylpyrazole
CID 63512488
1-[(2-chloro-3-fluorophenyl)methyl]-4-(1-chloropropyl)pyrazole
CID 112654315
1,4-diethylpyrazole;ethane
CID 143641951
1-[(1-ethylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 62126352
4-chloro-4-(1-ethylpyrazol-4-yl)butanoic acid
CID 103571317
1-[(2-bromo-4-fluorophenyl)methyl]-4-(1-chloropropyl)pyrazole
CID 62730571
2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
CID 62732030
4-(1-chloropropyl)-1-(2-propan-2-ylsulfonylethyl)pyrazole
CID 106730682
N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine
CID 55109269

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloropropyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole?
The IUPAC name of 4-(1-chloropropyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole (CID 62729663) is 4-(1-chloropropyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole.
What is the SMILES notation for 4-(1-chloropropyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole?
The canonical SMILES for 4-(1-chloropropyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole is CCC(Cl)c1cnn(Cc2cnn(CC)c2)c1.
What is the InChIKey of 4-(1-chloropropyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole?
The InChIKey is VLFBORSNGLRAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4/c1-3-12(13)11-6-15-17(9-11)8-10-5-14-16(4-2)7-10/h5-7,9,12H,3-4,8H2,1-2H3.
What are the key properties of 4-(1-chloropropyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole?
4-(1-chloropropyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole has a molecular weight of 252.75 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloropropyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole is sourced from PubChem (CID 62729663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).