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

C10H13ClN4 — CID 62730205

IUPAC4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole
SMILESCCn1cc(Cn2cc(CCl)cn2)cn1
InChIInChI=1S/C10H13ClN4/c1-2-14-7-10(5-12-14)8-15-6-9(3-11)4-13-15/h4-7H,2-3,8H2,1H3
InChIKeyMMKBIVHEVNYKID-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.89
Rot. Bonds4

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

4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole (PubChem CID 62730205) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole
PubChem CID62730205
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole
SMILESCCn1cc(Cn2cc(CCl)cn2)cn1
InChIInChI=1S/C10H13ClN4/c1-2-14-7-10(5-12-14)8-15-6-9(3-11)4-13-15/h4-7H,2-3,8H2,1H3
InChIKeyMMKBIVHEVNYKID-UHFFFAOYSA-N
XLogP1.89
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.89
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-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-ol
CID 116799436
4-(1-chloropropyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole
CID 62729663
4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]imidazole
CID 106720874
1,4-diethylpyrazole;ethane
CID 143641951
1-[(1-ethylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 62126352
1-(2-chloroethyl)-4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane
CID 63388085
4-[[4-(chloromethyl)pyrazol-1-yl]methyl]-1-methyltriazole
CID 107053764
1-ethyl-3-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]thiourea
CID 19445833
4-(chloromethyl)-1-(2-ethoxyethyl)pyrazole
CID 62729841
1-(1-benzylpyrazol-4-yl)-3-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]thiourea
CID 19445863
2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340031
4-(chloromethyl)-1-[(2-chlorophenyl)methyl]pyrazole
CID 62730927

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole?
The IUPAC name of 4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole (CID 62730205) is 4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole.
What is the SMILES notation for 4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole?
The canonical SMILES for 4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole is CCn1cc(Cn2cc(CCl)cn2)cn1.
What is the InChIKey of 4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole?
The InChIKey is MMKBIVHEVNYKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c1-2-14-7-10(5-12-14)8-15-6-9(3-11)4-13-15/h4-7H,2-3,8H2,1H3.
What are the key properties of 4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole?
4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole has a molecular weight of 224.69 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole is sourced from PubChem (CID 62730205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).