2-chloro-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylaniline

C14H18ClN3 — CID 114252018

IUPAC2-chloro-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylaniline
SMILESCCn1nc(C)cc1CNc1cccc(C)c1Cl
InChIInChI=1S/C14H18ClN3/c1-4-18-12(8-11(3)17-18)9-16-13-7-5-6-10(2)14(13)15/h5-8,16H,4,9H2,1-3H3
InChIKeyUEFUIIAWRXTIKT-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.79
Rot. Bonds4

About 2-chloro-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylaniline

2-chloro-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylaniline (PubChem CID 114252018) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-chloro-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylaniline
PubChem CID114252018
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-chloro-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylaniline
SMILESCCn1nc(C)cc1CNc1cccc(C)c1Cl
InChIInChI=1S/C14H18ClN3/c1-4-18-12(8-11(3)17-18)9-16-13-7-5-6-10(2)14(13)15/h5-8,16H,4,9H2,1-3H3
InChIKeyUEFUIIAWRXTIKT-UHFFFAOYSA-N
XLogP3.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylaniline?
The IUPAC name of 2-chloro-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylaniline (CID 114252018) is 2-chloro-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylaniline.
What is the SMILES notation for 2-chloro-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylaniline?
The canonical SMILES for 2-chloro-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylaniline is CCn1nc(C)cc1CNc1cccc(C)c1Cl.
What is the InChIKey of 2-chloro-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylaniline?
The InChIKey is UEFUIIAWRXTIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-4-18-12(8-11(3)17-18)9-16-13-7-5-6-10(2)14(13)15/h5-8,16H,4,9H2,1-3H3.
What are the key properties of 2-chloro-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylaniline?
2-chloro-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylaniline has a molecular weight of 263.77 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylaniline is sourced from PubChem (CID 114252018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).